(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone

C13H12N2O4S — CID 18996913

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone
SMILESCS(=O)(=O)c1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O4S/c1-20(17,18)13-9(3-2-6-14-13)11(16)10-7-15-19-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyBHYIEQFAOMCLPV-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.58
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone (PubChem CID 18996913) 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)-(2-methylsulfonyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone
PubChem CID18996913
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone
SMILESCS(=O)(=O)c1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O4S/c1-20(17,18)13-9(3-2-6-14-13)11(16)10-7-15-19-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyBHYIEQFAOMCLPV-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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Related Compounds

(5-Cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)pyridin-3-yl]methanone
CID 18374280
(5-Cyclopropyl-3-methylsulfinyl-isoxazol-4-yl)-(2-methyl-6-trifluoromethyl-pyridin-3-yl)-methanone
CID 22483918
(5-Cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 139920805
5-Cyclopropyl-4-(2-methylsulphenylpyridin-3-oyl)isoxazole
CID 18996915
5-Cyclopropyl-4-(2-methylsulphinylpyridin-3-oyl)isoxazole
CID 18996926
(5-Cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone
CID 18996930
(5-Cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
CID 18996936
3-(5-Chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole
CID 23288268
Cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone
CID 54230141
(5-Cyclopropyl-1,2-oxazol-4-yl)-(2-methyl-6-methylsulfonyl-3-pyridinyl)methanone
CID 69798100
5-Cyclopropyl-4-(5-methylsulfonyl-2-pyridinyl)-1,2-oxazole
CID 149904175
5-Cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole
CID 152577586

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone (CID 18996913) is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone is CS(=O)(=O)c1ncccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone?
The InChIKey is BHYIEQFAOMCLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-20(17,18)13-9(3-2-6-14-13)11(16)10-7-15-19-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-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)-(2-methylsulfonyl-3-pyridinyl)methanone is sourced from PubChem (CID 18996913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).