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

C12H9NO2S — CID 70149039

IUPAC3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole
SMILESCOc1cccc(-c2onc3sccc23)c1
InChIInChI=1S/C12H9NO2S/c1-14-9-4-2-3-8(7-9)11-10-5-6-16-12(10)13-15-11/h2-7H,1H3
InChIKeyODZFJWYZIJCYSY-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.56
Rot. Bonds2

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

3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole (PubChem CID 70149039) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole
PubChem CID70149039
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole
SMILESCOc1cccc(-c2onc3sccc23)c1
InChIInChI=1S/C12H9NO2S/c1-14-9-4-2-3-8(7-9)11-10-5-6-16-12(10)13-15-11/h2-7H,1H3
InChIKeyODZFJWYZIJCYSY-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

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Related Compounds

6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole
CID 70133656
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
N-[(3,4-difluorophenyl)methyl]-3-(3-thieno[2,3-c][1,2]oxazol-3-ylphenoxy)propan-1-amine
CID 67011114
3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
CID 14097241
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116859108
2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82104586
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole?
The IUPAC name of 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole (CID 70149039) is 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole.
What is the SMILES notation for 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole?
The canonical SMILES for 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole is COc1cccc(-c2onc3sccc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole?
The InChIKey is ODZFJWYZIJCYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c1-14-9-4-2-3-8(7-9)11-10-5-6-16-12(10)13-15-11/h2-7H,1H3.
What are the key properties of 3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole?
3-(3-methoxyphenyl)thieno[2,3-c][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-c][1,2]oxazole is sourced from PubChem (CID 70149039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).