(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone

C18H17N3O2S — CID 54426597

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCSc1ccc(C(=O)c2cnoc2C2CC2)c(Cn2cccn2)c1
InChIInChI=1S/C18H17N3O2S/c1-24-14-5-6-15(13(9-14)11-21-8-2-7-19-21)17(22)16-10-20-23-18(16)12-3-4-12/h2,5-10,12H,3-4,11H2,1H3
InChIKeyWENLFBFPWQSNKB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.75
Rot. Bonds6

About (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 54426597) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID54426597
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCSc1ccc(C(=O)c2cnoc2C2CC2)c(Cn2cccn2)c1
InChIInChI=1S/C18H17N3O2S/c1-24-14-5-6-15(13(9-14)11-21-8-2-7-19-21)17(22)16-10-20-23-18(16)12-3-4-12/h2,5-10,12H,3-4,11H2,1H3
InChIKeyWENLFBFPWQSNKB-UHFFFAOYSA-N
XLogP3.75
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.75
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)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone (CID 54426597) is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone is CSc1ccc(C(=O)c2cnoc2C2CC2)c(Cn2cccn2)c1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is WENLFBFPWQSNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-24-14-5-6-15(13(9-14)11-21-8-2-7-19-21)17(22)16-10-20-23-18(16)12-3-4-12/h2,5-10,12H,3-4,11H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 339.42 g/mol, XLogP of 3.75, 6 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)-[4-methylsulfanyl-2-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 54426597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).