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

C13H12N2O2S — CID 18996930

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone
SMILESCSc1ccc(C(=O)c2cnoc2C2CC2)nc1
InChIInChI=1S/C13H12N2O2S/c1-18-9-4-5-11(14-6-9)12(16)10-7-15-17-13(10)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyKGOTVWBYTMALDD-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.90
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone (PubChem CID 18996930) 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)-(5-methylsulfanyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone
PubChem CID18996930
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone
SMILESCSc1ccc(C(=O)c2cnoc2C2CC2)nc1
InChIInChI=1S/C13H12N2O2S/c1-18-9-4-5-11(14-6-9)12(16)10-7-15-17-13(10)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyKGOTVWBYTMALDD-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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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone (CID 18996930) is (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone is CSc1ccc(C(=O)c2cnoc2C2CC2)nc1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone?
The InChIKey is KGOTVWBYTMALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-9-4-5-11(14-6-9)12(16)10-7-15-17-13(10)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-pyridinyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methylsulfanyl-2-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)-(5-methylsulfanyl-2-pyridinyl)methanone is sourced from PubChem (CID 18996930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).