(4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone

C20H14ClN3O2 — CID 2745597

IUPAC(4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1-c1ccnn1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2/c1-13-18(19(23-26-13)14-5-3-2-4-6-14)17-11-12-22-24(17)20(25)15-7-9-16(21)10-8-15/h2-12H,1H3
InChIKeyLANWXTVNRKBGKM-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.86
Rot. Bonds3

About (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone

(4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone (PubChem CID 2745597) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone
PubChem CID2745597
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name(4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1-c1ccnn1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2/c1-13-18(19(23-26-13)14-5-3-2-4-6-14)17-11-12-22-24(17)20(25)15-7-9-16(21)10-8-15/h2-12H,1H3
InChIKeyLANWXTVNRKBGKM-UHFFFAOYSA-N
XLogP4.86
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone (CID 2745597) is (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone is Cc1onc(-c2ccccc2)c1-c1ccnn1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone?
The InChIKey is LANWXTVNRKBGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-13-18(19(23-26-13)14-5-3-2-4-6-14)17-11-12-22-24(17)20(25)15-7-9-16(21)10-8-15/h2-12H,1H3.
What are the key properties of (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone?
(4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone has a molecular weight of 363.80 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2745597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).