5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone

C147H164BrClF4N24O40 — CID 157240681

IUPAC5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone
SMILESCC(=O)C1=CC(C)=NC1.CC(=O)C1=CC=CC1.CC(=O)C1=NC=CC1.CC(=O)c1cc(C)[nH]n1.CC(=O)c1cc(C)on1.CC(=O)c1ccc(Br)o1.CC(=O)c1ccc(C#N)o1.CC(=O)c1ccc(C)o1.CC(=O)c1ccc(Cl)o1.CC(=O)c1ccc(F)o1.CC(=O)c1cccn1C.CC(=O)c1ccco1.CC(=O)c1ccnn1C.CC(=O)c1ccnn1C.CC(=O)c1ccno1.CC(=O)c1cnc(N)o1.CC(=O)c1cnc[nH]1.CC(=O)c1cnco1.CC(=O)c1cocn1.CC(=O)c1nc(C)oc1C.CC(=O)c1nc(C)oc1C(F)(F)F.CC(=O)c1oc(C)nc1C.CC(=O)c1oc(N)nc1C.CC(=O)c1ocnc1C
InChIInChI=1S/C7H6F3NO2.2C7H9NO2.C7H5NO2.2C7H9NO.C7H8O2.C7H8O.C6H5BrO2.C6H5ClO2.C6H5FO2.C6H8N2O2.3C6H8N2O.2C6H7NO2.C6H7NO.C6H6O2.C5H6N2O2.C5H6N2O.3C5H5NO2/c1-3(12)5-6(7(8,9)10)13-4(2)11-5;1-4(9)7-5(2)10-6(3)8-7;1-4-7(5(2)9)10-6(3)8-4;1-5(9)7-3-2-6(4-8)10-7;1-5-3-7(4-8-5)6(2)9;1-6(9)7-4-3-5-8(7)2;1-5-3-4-7(9-5)6(2)8;1-6(8)7-4-2-3-5-7;3*1-4(8)5-2-3-6(7)9-5;1-3-5(4(2)9)10-6(7)8-3;2*1-5(9)6-3-4-7-8(6)2;1-4-3-6(5(2)9)8-7-4;1-4-6(5(2)8)9-3-7-4;1-4-3-6(5(2)8)7-9-4;1-5(8)6-3-2-4-7-6;1-5(7)6-3-2-4-8-6;1-3(8)4-2-7-5(6)9-4;1-4(8)5-2-6-3-7-5;1-4(7)5-2-8-3-6-5;1-4(7)5-2-6-3-8-5;1-4(7)5-2-3-6-8-5/h1-2H3;2*1-3H3;2-3H,1H3;3H,4H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-4H,5H2,1H3;3*2-3H,1H3;1-2H3,(H2,7,8);2*3-4H,1-2H3;3H,1-2H3,(H,7,8);2*3H,1-2H3;2,4H,3H2,1H3;2-4H,1H3;2H,1H3,(H2,6,7);2-3H,1H3,(H,6,7);3*2-3H,1H3
InChIKeyAVEFUMGSJJJZEE-UHFFFAOYSA-N
MW3098.41 g/mol
LogP29.43
Rot. Bonds24

About 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone

5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone (PubChem CID 157240681) has the molecular formula C147H164BrClF4N24O40 and a molecular weight of 3098.41 g/mol. Its IUPAC name is 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone
PubChem CID157240681
Molecular FormulaC147H164BrClF4N24O40
Molecular Weight3098.41 g/mol
Exact Mass3095.03
IUPAC Name5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone
SMILESCC(=O)C1=CC(C)=NC1.CC(=O)C1=CC=CC1.CC(=O)C1=NC=CC1.CC(=O)c1cc(C)[nH]n1.CC(=O)c1cc(C)on1.CC(=O)c1ccc(Br)o1.CC(=O)c1ccc(C#N)o1.CC(=O)c1ccc(C)o1.CC(=O)c1ccc(Cl)o1.CC(=O)c1ccc(F)o1.CC(=O)c1cccn1C.CC(=O)c1ccco1.CC(=O)c1ccnn1C.CC(=O)c1ccnn1C.CC(=O)c1ccno1.CC(=O)c1cnc(N)o1.CC(=O)c1cnc[nH]1.CC(=O)c1cnco1.CC(=O)c1cocn1.CC(=O)c1nc(C)oc1C.CC(=O)c1nc(C)oc1C(F)(F)F.CC(=O)c1oc(C)nc1C.CC(=O)c1oc(N)nc1C.CC(=O)c1ocnc1C
InChIInChI=1S/C7H6F3NO2.2C7H9NO2.C7H5NO2.2C7H9NO.C7H8O2.C7H8O.C6H5BrO2.C6H5ClO2.C6H5FO2.C6H8N2O2.3C6H8N2O.2C6H7NO2.C6H7NO.C6H6O2.C5H6N2O2.C5H6N2O.3C5H5NO2/c1-3(12)5-6(7(8,9)10)13-4(2)11-5;1-4(9)7-5(2)10-6(3)8-7;1-4-7(5(2)9)10-6(3)8-4;1-5(9)7-3-2-6(4-8)10-7;1-5-3-7(4-8-5)6(2)9;1-6(9)7-4-3-5-8(7)2;1-5-3-4-7(9-5)6(2)8;1-6(8)7-4-2-3-5-7;3*1-4(8)5-2-3-6(7)9-5;1-3-5(4(2)9)10-6(7)8-3;2*1-5(9)6-3-4-7-8(6)2;1-4-3-6(5(2)9)8-7-4;1-4-6(5(2)8)9-3-7-4;1-4-3-6(5(2)8)7-9-4;1-5(8)6-3-2-4-7-6;1-5(7)6-3-2-4-8-6;1-3(8)4-2-7-5(6)9-4;1-4(8)5-2-6-3-7-5;1-4(7)5-2-8-3-6-5;1-4(7)5-2-6-3-8-5;1-4(7)5-2-3-6-8-5/h1-2H3;2*1-3H3;2-3H,1H3;3H,4H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-4H,5H2,1H3;3*2-3H,1H3;1-2H3,(H2,7,8);2*3-4H,1-2H3;3H,1-2H3,(H,7,8);2*3H,1-2H3;2,4H,3H2,1H3;2-4H,1H3;2H,1H3,(H2,6,7);2-3H,1H3,(H,6,7);3*2-3H,1H3
InChIKeyAVEFUMGSJJJZEE-UHFFFAOYSA-N
XLogP29.43
TPSA947.30 Ų
H-Bond Donors4
H-Bond Acceptors62
Rotatable Bonds24
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003098.41
LogP ≤ 529.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1062

Analyze 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone?
The IUPAC name of 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone (CID 157240681) is 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone?
The canonical SMILES for 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone is CC(=O)C1=CC(C)=NC1.CC(=O)C1=CC=CC1.CC(=O)C1=NC=CC1.CC(=O)c1cc(C)[nH]n1.CC(=O)c1cc(C)on1.CC(=O)c1ccc(Br)o1.CC(=O)c1ccc(C#N)o1.CC(=O)c1ccc(C)o1.CC(=O)c1ccc(Cl)o1.CC(=O)c1ccc(F)o1.CC(=O)c1cccn1C.CC(=O)c1ccco1.CC(=O)c1ccnn1C.CC(=O)c1ccnn1C.CC(=O)c1ccno1.CC(=O)c1cnc(N)o1.CC(=O)c1cnc[nH]1.CC(=O)c1cnco1.CC(=O)c1cocn1.CC(=O)c1nc(C)oc1C.CC(=O)c1nc(C)oc1C(F)(F)F.CC(=O)c1oc(C)nc1C.CC(=O)c1oc(N)nc1C.CC(=O)c1ocnc1C.
What is the InChIKey of 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone?
The InChIKey is AVEFUMGSJJJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2.2C7H9NO2.C7H5NO2.2C7H9NO.C7H8O2.C7H8O.C6H5BrO2.C6H5ClO2.C6H5FO2.C6H8N2O2.3C6H8N2O.2C6H7NO2.C6H7NO.C6H6O2.C5H6N2O2.C5H6N2O.3C5H5NO2/c1-3(12)5-6(7(8,9)10)13-4(2)11-5;1-4(9)7-5(2)10-6(3)8-7;1-4-7(5(2)9)10-6(3)8-4;1-5(9)7-3-2-6(4-8)10-7;1-5-3-7(4-8-5)6(2)9;1-6(9)7-4-3-5-8(7)2;1-5-3-4-7(9-5)6(2)8;1-6(8)7-4-2-3-5-7;3*1-4(8)5-2-3-6(7)9-5;1-3-5(4(2)9)10-6(7)8-3;2*1-5(9)6-3-4-7-8(6)2;1-4-3-6(5(2)9)8-7-4;1-4-6(5(2)8)9-3-7-4;1-4-3-6(5(2)8)7-9-4;1-5(8)6-3-2-4-7-6;1-5(7)6-3-2-4-8-6;1-3(8)4-2-7-5(6)9-4;1-4(8)5-2-6-3-7-5;1-4(7)5-2-8-3-6-5;1-4(7)5-2-6-3-8-5;1-4(7)5-2-3-6-8-5/h1-2H3;2*1-3H3;2-3H,1H3;3H,4H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-4H,5H2,1H3;3*2-3H,1H3;1-2H3,(H2,7,8);2*3-4H,1-2H3;3H,1-2H3,(H,7,8);2*3H,1-2H3;2,4H,3H2,1H3;2-4H,1H3;2H,1H3,(H2,6,7);2-3H,1H3,(H,6,7);3*2-3H,1H3.
What are the key properties of 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone?
5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone has a molecular weight of 3098.41 g/mol, XLogP of 29.43, 24 rotatable bonds, 4 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylfuran-2-carbonitrile;1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-(5-bromofuran-2-yl)ethanone;1-(5-chlorofuran-2-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(5-methylfuran-2-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 157240681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).