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

C14H10ClN3O2 — CID 674657

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)n1cccn1
InChIInChI=1S/C14H10ClN3O2/c1-9-12(14(19)18-8-4-7-16-18)13(17-20-9)10-5-2-3-6-11(10)15/h2-8H,1H3
InChIKeyGVTAPDQOWYWGMM-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.19
Rot. Bonds2

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

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone (PubChem CID 674657) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
PubChem CID674657
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)n1cccn1
InChIInChI=1S/C14H10ClN3O2/c1-9-12(14(19)18-8-4-7-16-18)13(17-20-9)10-5-2-3-6-11(10)15/h2-8H,1H3
InChIKeyGVTAPDQOWYWGMM-UHFFFAOYSA-N
XLogP3.19
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241026
3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid N'-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)-hydrazide
CID 540178
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-isoxazolecarboxamide
CID 1225522
N-(1-benzylpyrazol-4-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4451622
3-(2-Chlorophenyl)-5-methyl-4-(1-pyrrolidinylcarbonyl)isoxazole
CID 743641
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 749183
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
CID 1245960
3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(2,6-dichlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580095
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone (CID 674657) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone is Cc1onc(-c2ccccc2Cl)c1C(=O)n1cccn1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
The InChIKey is GVTAPDQOWYWGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-9-12(14(19)18-8-4-7-16-18)13(17-20-9)10-5-2-3-6-11(10)15/h2-8H,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone has a molecular weight of 287.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 674657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).