5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile

C21H23N3O3 — CID 44616250

IUPAC5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCCN(CC)c1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N
InChIInChI=1S/C21H23N3O3/c1-5-24(6-2)21-17(12-22)23-20(27-21)18-10-9-16(26-18)13-25-19-11-14(3)7-8-15(19)4/h7-11H,5-6,13H2,1-4H3
InChIKeyFJPNJKAVADBKPH-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.85
Rot. Bonds7

About 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile

5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 44616250) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
PubChem CID44616250
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCCN(CC)c1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N
InChIInChI=1S/C21H23N3O3/c1-5-24(6-2)21-17(12-22)23-20(27-21)18-10-9-16(26-18)13-25-19-11-14(3)7-8-15(19)4/h7-11H,5-6,13H2,1-4H3
InChIKeyFJPNJKAVADBKPH-UHFFFAOYSA-N
XLogP4.85
TPSA75.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[benzyl(methyl)amino]-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616233
2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 46270735
5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 16958067
5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616223
2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 51660690
2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-5-[(3R)-3-methylpiperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 51660697
1-[4-cyano-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 44616242
5-[benzyl(methyl)amino]-2-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 50752826
2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 44616216
2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 16958106
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 42587526

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 44616250) is 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is CCN(CC)c1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N.
What is the InChIKey of 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is FJPNJKAVADBKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-5-24(6-2)21-17(12-22)23-20(27-21)18-10-9-16(26-18)13-25-19-11-14(3)7-8-15(19)4/h7-11H,5-6,13H2,1-4H3.
What are the key properties of 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 365.43 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44616250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).