(2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone

C9H7NO2S — CID 130517545

IUPAC(2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone
SMILESCc1nc(C(=O)c2cccs2)co1
InChIInChI=1S/C9H7NO2S/c1-6-10-7(5-12-6)9(11)8-3-2-4-13-8/h2-5H,1H3
InChIKeyBSJIGGHMVLKOMJ-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.28
Rot. Bonds2

About (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone

(2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone (PubChem CID 130517545) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone
PubChem CID130517545
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone
SMILESCc1nc(C(=O)c2cccs2)co1
InChIInChI=1S/C9H7NO2S/c1-6-10-7(5-12-6)9(11)8-3-2-4-13-8/h2-5H,1H3
InChIKeyBSJIGGHMVLKOMJ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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)-thiophen-2-ylmethanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone (CID 130517545) is (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone is Cc1nc(C(=O)c2cccs2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone?
The InChIKey is BSJIGGHMVLKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-6-10-7(5-12-6)9(11)8-3-2-4-13-8/h2-5H,1H3.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone?
(2-methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone has a molecular weight of 193.23 g/mol, XLogP of 2.28, 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 130517545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).