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

C20H16N4O2 — CID 19397537

IUPACN-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16N4O2/c25-20(18-11-19(26-23-18)16-9-5-2-6-10-16)22-17-12-21-24(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,25)
InChIKeyGKHYXEGARSHUEV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.84
Rot. Bonds5

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

N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 19397537) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID19397537
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16N4O2/c25-20(18-11-19(26-23-18)16-9-5-2-6-10-16)22-17-12-21-24(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,25)
InChIKeyGKHYXEGARSHUEV-UHFFFAOYSA-N
XLogP3.84
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 19397537) is N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GKHYXEGARSHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(18-11-19(26-23-18)16-9-5-2-6-10-16)22-17-12-21-24(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,25).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.84, 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)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19397537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).