N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H17FN4O2 — CID 19491749

IUPACN-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H17FN4O2/c21-16-8-6-15(7-9-16)18-10-19(27-24-18)20(26)23-17-11-22-25(13-17)12-14-4-2-1-3-5-14/h1-9,11,13,19H,10,12H2,(H,23,26)
InChIKeyJSERQYQEXNARHG-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.20
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491749) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19491749
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H17FN4O2/c21-16-8-6-15(7-9-16)18-10-19(27-24-18)20(26)23-17-11-22-25(13-17)12-14-4-2-1-3-5-14/h1-9,11,13,19H,10,12H2,(H,23,26)
InChIKeyJSERQYQEXNARHG-UHFFFAOYSA-N
XLogP3.20
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-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 N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491749) is N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JSERQYQEXNARHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-16-8-6-15(7-9-16)18-10-19(27-24-18)20(26)23-17-11-22-25(13-17)12-14-4-2-1-3-5-14/h1-9,11,13,19H,10,12H2,(H,23,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).