4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

C17H16ClFN4O2 — CID 19442254

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2c(C(=O)Nc3cccc(F)c3)noc2C)c(C)c1Cl
InChIInChI=1S/C17H16ClFN4O2/c1-9-15(18)10(2)23(21-9)8-14-11(3)25-22-16(14)17(24)20-13-6-4-5-12(19)7-13/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyIPFDMXJXQAQWCR-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.89
Rot. Bonds4

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19442254) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19442254
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2c(C(=O)Nc3cccc(F)c3)noc2C)c(C)c1Cl
InChIInChI=1S/C17H16ClFN4O2/c1-9-15(18)10(2)23(21-9)8-14-11(3)25-22-16(14)17(24)20-13-6-4-5-12(19)7-13/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyIPFDMXJXQAQWCR-UHFFFAOYSA-N
XLogP3.89
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19442254) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1nn(Cc2c(C(=O)Nc3cccc(F)c3)noc2C)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IPFDMXJXQAQWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-9-15(18)10(2)23(21-9)8-14-11(3)25-22-16(14)17(24)20-13-6-4-5-12(19)7-13/h4-7H,8H2,1-3H3,(H,20,24).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).