4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol

C17H12N2O2S — CID 135608090

IUPAC4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C/c1nc(-c2cccs2)oc1O
InChIInChI=1S/C17H12N2O2S/c1-10-12(11-5-2-3-6-13(11)18-10)9-14-17(20)21-16(19-14)15-7-4-8-22-15/h2-9,20H,1H3/b12-9+
InChIKeyGLGPCRZYFRCJKI-FMIVXFBMSA-N
MW308.36 g/mol
LogP4.76
Rot. Bonds2

About 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol

4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol (PubChem CID 135608090) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol
PubChem CID135608090
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C/c1nc(-c2cccs2)oc1O
InChIInChI=1S/C17H12N2O2S/c1-10-12(11-5-2-3-6-13(11)18-10)9-14-17(20)21-16(19-14)15-7-4-8-22-15/h2-9,20H,1H3/b12-9+
InChIKeyGLGPCRZYFRCJKI-FMIVXFBMSA-N
XLogP4.76
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 135757439
3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 135954910
4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol
CID 135401716
1-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanol
CID 69240115
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
4-hydroxy-3-(4-methoxyphenyl)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 1238532
3-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 135648335
2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
CID 137089286
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
3-diazo-2-thiophen-2-ylindole
CID 12705301
5-(3,4-dimethylphenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 28547704

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol?
The IUPAC name of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol (CID 135608090) is 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol is CC1=Nc2ccccc2/C1=C/c1nc(-c2cccs2)oc1O.
What is the InChIKey of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol?
The InChIKey is GLGPCRZYFRCJKI-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H12N2O2S/c1-10-12(11-5-2-3-6-13(11)18-10)9-14-17(20)21-16(19-14)15-7-4-8-22-15/h2-9,20H,1H3/b12-9+.
What are the key properties of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol?
4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol has a molecular weight of 308.36 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol is sourced from PubChem (CID 135608090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).