N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide

C21H18N4O3 — CID 1302330

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccccc3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18N4O3/c1-14-19(21(27)25(24(14)2)16-11-7-4-8-12-16)22-20(26)17-13-18(28-23-17)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,22,26)
InChIKeyBHCXFIXVIVUZSU-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.39
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 1302330) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID1302330
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccccc3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18N4O3/c1-14-19(21(27)25(24(14)2)16-11-7-4-8-12-16)22-20(26)17-13-18(28-23-17)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,22,26)
InChIKeyBHCXFIXVIVUZSU-UHFFFAOYSA-N
XLogP3.39
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 1302330) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide is Cc1c(NC(=O)c2cc(-c3ccccc3)on2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is BHCXFIXVIVUZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-19(21(27)25(24(14)2)16-11-7-4-8-12-16)22-20(26)17-13-18(28-23-17)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,22,26).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1302330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).