(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone

C13H12N2O4S — CID 18996936

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)nc1
InChIInChI=1S/C13H12N2O4S/c1-20(17,18)9-4-5-11(14-6-9)12(16)10-7-15-19-13(10)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyRHEKRYPPJDOITL-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.58
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone (PubChem CID 18996936) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
PubChem CID18996936
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)nc1
InChIInChI=1S/C13H12N2O4S/c1-20(17,18)9-4-5-11(14-6-9)12(16)10-7-15-19-13(10)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyRHEKRYPPJDOITL-UHFFFAOYSA-N
XLogP1.58
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone (CID 18996936) is (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)nc1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
The InChIKey is RHEKRYPPJDOITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-20(17,18)9-4-5-11(14-6-9)12(16)10-7-15-19-13(10)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone has a molecular weight of 292.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone is sourced from PubChem (CID 18996936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).