(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone

C10H9NO2S — CID 130517589

IUPAC(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1nc(C(=O)c2csc(C)c2)co1
InChIInChI=1S/C10H9NO2S/c1-6-3-8(5-14-6)10(12)9-4-13-7(2)11-9/h3-5H,1-2H3
InChIKeyYLNRVFSIRGQQAB-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.58
Rot. Bonds2

About (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone

(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone (PubChem CID 130517589) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone
PubChem CID130517589
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1nc(C(=O)c2csc(C)c2)co1
InChIInChI=1S/C10H9NO2S/c1-6-3-8(5-14-6)10(12)9-4-13-7(2)11-9/h3-5H,1-2H3
InChIKeyYLNRVFSIRGQQAB-UHFFFAOYSA-N
XLogP2.58
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone (CID 130517589) is (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone is Cc1nc(C(=O)c2csc(C)c2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is YLNRVFSIRGQQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-3-8(5-14-6)10(12)9-4-13-7(2)11-9/h3-5H,1-2H3.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone?
(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 207.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 130517589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).