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

C13H12N2O2S — CID 18996915

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O2S/c1-18-13-9(3-2-6-14-13)11(16)10-7-15-17-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyHCUPWFQNOPGGOV-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.90
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 18996915) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID18996915
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O2S/c1-18-13-9(3-2-6-14-13)11(16)10-7-15-17-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyHCUPWFQNOPGGOV-UHFFFAOYSA-N
XLogP2.90
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

S-[5-(trifluoromethyl)-2-pyridinyl] 5-methyl-3-phenyl-1,2-oxazole-4-carbothioate
CID 2744989
(5-Cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)pyridin-3-yl]methanone
CID 18374275
(5-Cyclopropyl-3-methylsulfanyi-isoxazol-4-yl)-(2-methyl-6-trifluoromethyl-pyridin-3-yl)-methanone
CID 22483913
(5-Cyclopropyl-3-methylsulfinyl-isoxazol-4-yl)-(2-methyl-6-trifluoromethyl-pyridin-3-yl)-methanone
CID 22483918
(5-Cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanone
CID 69336258
Cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone
CID 70098441
5-(4-Fluorophenyl)-4-methyl-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2-oxazole
CID 8651121
(5-Cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfonyl-3-pyridinyl)methanone
CID 18996913
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
4-Cyclopropylcarbonyl-5-[5-(methylsulphenyl)pyrid-2-yl]isoxazole
CID 19931770

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (CID 18996915) is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone is CSc1ncccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is HCUPWFQNOPGGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-13-9(3-2-6-14-13)11(16)10-7-15-17-12(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-methylsulfanyl-3-pyridinyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 260.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 18996915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).