(2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone

C9H6ClNO2S — CID 130640032

IUPAC(2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)c2ccsc2Cl)co1
InChIInChI=1S/C9H6ClNO2S/c1-5-11-7(4-13-5)8(12)6-2-3-14-9(6)10/h2-4H,1H3
InChIKeyQGKJPTFIZLWWGY-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.93
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone

(2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 130640032) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID130640032
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Name(2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)c2ccsc2Cl)co1
InChIInChI=1S/C9H6ClNO2S/c1-5-11-7(4-13-5)8(12)6-2-3-14-9(6)10/h2-4H,1H3
InChIKeyQGKJPTFIZLWWGY-UHFFFAOYSA-N
XLogP2.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone (CID 130640032) is (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)c2ccsc2Cl)co1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is QGKJPTFIZLWWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c1-5-11-7(4-13-5)8(12)6-2-3-14-9(6)10/h2-4H,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone?
(2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 227.67 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 130640032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).