(4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone

C16H14ClN3O2 — CID 67816162

IUPAC(4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone
SMILESCc1noc(C)c1-c1cn(C)nc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c1-9-14(10(2)22-19-9)13-8-20(3)18-15(13)16(21)11-4-6-12(17)7-5-11/h4-8H,1-3H3
InChIKeyKHCLZSVXZMBAEL-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.58
Rot. Bonds3

About (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone

(4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone (PubChem CID 67816162) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone
PubChem CID67816162
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name(4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone
SMILESCc1noc(C)c1-c1cn(C)nc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c1-9-14(10(2)22-19-9)13-8-20(3)18-15(13)16(21)11-4-6-12(17)7-5-11/h4-8H,1-3H3
InChIKeyKHCLZSVXZMBAEL-UHFFFAOYSA-N
XLogP3.58
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone (CID 67816162) is (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone is Cc1noc(C)c1-c1cn(C)nc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
The InChIKey is KHCLZSVXZMBAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-9-14(10(2)22-19-9)13-8-20(3)18-15(13)16(21)11-4-6-12(17)7-5-11/h4-8H,1-3H3.
What are the key properties of (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
(4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone has a molecular weight of 315.76 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 67816162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).