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

C9H7NO2S — CID 82281608

IUPAC(5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone
SMILESCc1oncc1C(=O)c1cccs1
InChIInChI=1S/C9H7NO2S/c1-6-7(5-10-12-6)9(11)8-3-2-4-13-8/h2-5H,1H3
InChIKeyMVRXNPIISOCZJQ-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.28
Rot. Bonds2

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

(5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone (PubChem CID 82281608) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone
PubChem CID82281608
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone
SMILESCc1oncc1C(=O)c1cccs1
InChIInChI=1S/C9H7NO2S/c1-6-7(5-10-12-6)9(11)8-3-2-4-13-8/h2-5H,1H3
InChIKeyMVRXNPIISOCZJQ-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 (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone (CID 82281608) is (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone is Cc1oncc1C(=O)c1cccs1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone?
The InChIKey is MVRXNPIISOCZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-6-7(5-10-12-6)9(11)8-3-2-4-13-8/h2-5H,1H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone?
(5-methyl-1,2-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 (5-methyl-1,2-oxazol-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82281608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).