3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole

C12H9NO2S — CID 14097241

IUPAC3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
SMILESCOc1cccc(-c2noc3ccsc23)c1
InChIInChI=1S/C12H9NO2S/c1-14-9-4-2-3-8(7-9)11-12-10(15-13-11)5-6-16-12/h2-7H,1H3
InChIKeyAHCLVSYHPCMZDI-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.56
Rot. Bonds2

About 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole

3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole (PubChem CID 14097241) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
PubChem CID14097241
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
SMILESCOc1cccc(-c2noc3ccsc23)c1
InChIInChI=1S/C12H9NO2S/c1-14-9-4-2-3-8(7-9)11-12-10(15-13-11)5-6-16-12/h2-7H,1H3
InChIKeyAHCLVSYHPCMZDI-UHFFFAOYSA-N
XLogP3.56
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole 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

3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
N-iodo-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 163896523
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole
CID 70149039
3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole
CID 142654196
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
(E)-2-[[(3,4-dichlorophenyl)methylamino]methyl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)prop-1-en-1-ol
CID 71024267
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole?
The IUPAC name of 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole (CID 14097241) is 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole.
What is the SMILES notation for 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole?
The canonical SMILES for 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole is COc1cccc(-c2noc3ccsc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole?
The InChIKey is AHCLVSYHPCMZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c1-14-9-4-2-3-8(7-9)11-12-10(15-13-11)5-6-16-12/h2-7H,1H3.
What are the key properties of 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole?
3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole has a molecular weight of 231.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole is sourced from PubChem (CID 14097241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).