(5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone

C14H9NO2S — CID 134861603

IUPAC(5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)on1)c1cccs1
InChIInChI=1S/C14H9NO2S/c16-14(13-7-4-8-18-13)11-9-12(17-15-11)10-5-2-1-3-6-10/h1-9H
InChIKeyGRKZZILJNDTWCG-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.63
Rot. Bonds3

About (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone

(5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone (PubChem CID 134861603) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone
PubChem CID134861603
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)on1)c1cccs1
InChIInChI=1S/C14H9NO2S/c16-14(13-7-4-8-18-13)11-9-12(17-15-11)10-5-2-1-3-6-10/h1-9H
InChIKeyGRKZZILJNDTWCG-UHFFFAOYSA-N
XLogP3.63
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone (CID 134861603) is (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone is O=C(c1cc(-c2ccccc2)on1)c1cccs1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone?
The InChIKey is GRKZZILJNDTWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-14(13-7-4-8-18-13)11-9-12(17-15-11)10-5-2-1-3-6-10/h1-9H.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone?
(5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone has a molecular weight of 255.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 134861603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).