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

C13H12N2O3S — CID 18996926

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone
SMILESCS(=O)c1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O3S/c1-19(17)13-9(3-2-6-14-13)11(16)10-7-15-18-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyHSRLLXRXKPRERO-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.92
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone (PubChem CID 18996926) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone
PubChem CID18996926
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone
SMILESCS(=O)c1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O3S/c1-19(17)13-9(3-2-6-14-13)11(16)10-7-15-18-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyHSRLLXRXKPRERO-UHFFFAOYSA-N
XLogP1.92
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone (CID 18996926) is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone is CS(=O)c1ncccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone?
The InChIKey is HSRLLXRXKPRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-19(17)13-9(3-2-6-14-13)11(16)10-7-15-18-12(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-methylsulfinyl-3-pyridinyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfinyl-3-pyridinyl)methanone has a molecular weight of 276.32 g/mol, XLogP of 1.92, 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-methylsulfinyl-3-pyridinyl)methanone is sourced from PubChem (CID 18996926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).