1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone

C9H7NO2S — CID 82281607

IUPAC1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1cnoc1-c1cccs1
InChIInChI=1S/C9H7NO2S/c1-6(11)7-5-10-12-9(7)8-3-2-4-13-8/h2-5H,1H3
InChIKeyNORLLSMHSIFAOR-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.61
Rot. Bonds2

About 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone

1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone (PubChem CID 82281607) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone
PubChem CID82281607
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1cnoc1-c1cccs1
InChIInChI=1S/C9H7NO2S/c1-6(11)7-5-10-12-9(7)8-3-2-4-13-8/h2-5H,1H3
InChIKeyNORLLSMHSIFAOR-UHFFFAOYSA-N
XLogP2.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Thiophen-2-YL-isoxazole
CID 12049986
3,4-Dimethyl-5-(2-thienyl)isoxazole
CID 601597
5-(Thiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 22309076
Isoxazole, 4-(chloromethyl)-5-(2-thienyl)-
CID 71757224
5-(5-Methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 75356058
[3-(4-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiophen-2-ylmethanone
CID 178324306
N-(2-sulfanylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 177679610
5-(5-Methylthiophen-2-yl)isoxazole
CID 45099284
(5-Cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene
CID 174281977
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone
CID 178324304
3-(Difluoromethyl)-4-methyl-5-thiophen-2-yl-1,2-oxazole
CID 149951156
5-[5-(Trifluoromethyl)thiophen-2-yl]-1,2-oxazole-4-carboxylic acid
CID 165842910

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone (CID 82281607) is 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone is CC(=O)c1cnoc1-c1cccs1.
What is the InChIKey of 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone?
The InChIKey is NORLLSMHSIFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-6(11)7-5-10-12-9(7)8-3-2-4-13-8/h2-5H,1H3.
What are the key properties of 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone?
1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone has a molecular weight of 193.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 82281607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).