2-phenyl-4-thiophen-3-yl-1,3-oxazole

C13H9NOS — CID 119082929

IUPAC2-phenyl-4-thiophen-3-yl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccsc3)co2)cc1
InChIInChI=1S/C13H9NOS/c1-2-4-10(5-3-1)13-14-12(8-15-13)11-6-7-16-9-11/h1-9H
InChIKeyMNHQTJMTTFWRLI-UHFFFAOYSA-N
MW227.29 g/mol
LogP4.07
Rot. Bonds2

About 2-phenyl-4-thiophen-3-yl-1,3-oxazole

2-phenyl-4-thiophen-3-yl-1,3-oxazole (PubChem CID 119082929) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-phenyl-4-thiophen-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-thiophen-3-yl-1,3-oxazole
PubChem CID119082929
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-phenyl-4-thiophen-3-yl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccsc3)co2)cc1
InChIInChI=1S/C13H9NOS/c1-2-4-10(5-3-1)13-14-12(8-15-13)11-6-7-16-9-11/h1-9H
InChIKeyMNHQTJMTTFWRLI-UHFFFAOYSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984
4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole
CID 119081786
4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol
CID 115047090
4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile
CID 58119309
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
[3-(2-phenyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115046706
4-phenyl-2-pyridin-2-yl-1,3-oxazole
CID 18515932
2-(4-butylphenyl)-4-phenyl-1,3-oxazole
CID 56669361
4-fluoro-2-phenyl-1,3-oxazole
CID 141447377
2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
CID 112559733

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-thiophen-3-yl-1,3-oxazole?
The IUPAC name of 2-phenyl-4-thiophen-3-yl-1,3-oxazole (CID 119082929) is 2-phenyl-4-thiophen-3-yl-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-thiophen-3-yl-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-thiophen-3-yl-1,3-oxazole is c1ccc(-c2nc(-c3ccsc3)co2)cc1.
What is the InChIKey of 2-phenyl-4-thiophen-3-yl-1,3-oxazole?
The InChIKey is MNHQTJMTTFWRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c1-2-4-10(5-3-1)13-14-12(8-15-13)11-6-7-16-9-11/h1-9H.
What are the key properties of 2-phenyl-4-thiophen-3-yl-1,3-oxazole?
2-phenyl-4-thiophen-3-yl-1,3-oxazole has a molecular weight of 227.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-thiophen-3-yl-1,3-oxazole is sourced from PubChem (CID 119082929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).