3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one

C166H228FN27O18S5 — CID 165010189

IUPAC3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(C)F)co1.CC(C)c1cnn(C)c1.CC(C)c1nnc(-c2cc[nH]c(=O)c2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(-c2ccncc2)s1.CC1=NC(C(C)C)=CC1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.CCc1cc(C(C)C)on1.COCc1cc(C(C)C)on1.Cc1ccoc1C(C)C.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C12H13NO.C11H12N2O.C10H11N3OS.3C10H11N3S.C9H13FO.C9H13NO3.C8H13NO2.2C8H11NO2.3C8H13NO.C8H13N.C8H12O.C7H12N2.C7H11NO.C7H11NS/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-6(2)9-12-13-10(15-9)7-3-4-11-8(14)5-7;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-6(2)9-4-8(5-11-9)7(3)10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-6(2)8-4-7(5-10-3)9-11-8;2*1-5(2)8-4-7(6(3)10)9-11-8;1-5(2)8-6(3)7(4)9-10-8;2*1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h3-9H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,11,14);3*3-7H,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;2*4-5H,1-3H3;5H,1-4H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyJOVRJQJONOGSIH-UHFFFAOYSA-N
MW3069.15 g/mol
LogP46.33
Rot. Bonds34

About 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one (PubChem CID 165010189) has the molecular formula C166H228FN27O18S5 and a molecular weight of 3069.15 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
PubChem CID165010189
Molecular FormulaC166H228FN27O18S5
Molecular Weight3069.15 g/mol
Exact Mass3066.63
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(C)F)co1.CC(C)c1cnn(C)c1.CC(C)c1nnc(-c2cc[nH]c(=O)c2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(-c2ccncc2)s1.CC1=NC(C(C)C)=CC1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.CCc1cc(C(C)C)on1.COCc1cc(C(C)C)on1.Cc1ccoc1C(C)C.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C12H13NO.C11H12N2O.C10H11N3OS.3C10H11N3S.C9H13FO.C9H13NO3.C8H13NO2.2C8H11NO2.3C8H13NO.C8H13N.C8H12O.C7H12N2.C7H11NO.C7H11NS/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-6(2)9-12-13-10(15-9)7-3-4-11-8(14)5-7;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-6(2)9-4-8(5-11-9)7(3)10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-6(2)8-4-7(5-10-3)9-11-8;2*1-5(2)8-4-7(6(3)10)9-11-8;1-5(2)8-6(3)7(4)9-10-8;2*1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h3-9H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,11,14);3*3-7H,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;2*4-5H,1-3H3;5H,1-4H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyJOVRJQJONOGSIH-UHFFFAOYSA-N
XLogP46.33
TPSA586.86 Ų
H-Bond Donors1
H-Bond Acceptors49
Rotatable Bonds34
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003069.15
LogP ≤ 546.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1049

Analyze 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one (CID 165010189) is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one is CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(C)F)co1.CC(C)c1cnn(C)c1.CC(C)c1nnc(-c2cc[nH]c(=O)c2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(-c2ccncc2)s1.CC1=NC(C(C)C)=CC1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.CCc1cc(C(C)C)on1.COCc1cc(C(C)C)on1.Cc1ccoc1C(C)C.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
The InChIKey is JOVRJQJONOGSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C11H12N2O.C10H11N3OS.3C10H11N3S.C9H13FO.C9H13NO3.C8H13NO2.2C8H11NO2.3C8H13NO.C8H13N.C8H12O.C7H12N2.C7H11NO.C7H11NS/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-6(2)9-12-13-10(15-9)7-3-4-11-8(14)5-7;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-6(2)9-4-8(5-11-9)7(3)10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-6(2)8-4-7(5-10-3)9-11-8;2*1-5(2)8-4-7(6(3)10)9-11-8;1-5(2)8-6(3)7(4)9-10-8;2*1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h3-9H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,11,14);3*3-7H,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;2*4-5H,1-3H3;5H,1-4H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one has a molecular weight of 3069.15 g/mol, XLogP of 46.33, 34 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 165010189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).