5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide

C24H22N6O3 — CID 4531473

IUPAC5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C24H22N6O3/c1-15(17-9-11-19(12-10-17)26-23(31)20-13-14-25-30(20)3)27-28-24(32)21-16(2)33-29-22(21)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,26,31)(H,28,32)
InChIKeyWMJQWSYAVUVRGM-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.79
Rot. Bonds6

About 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4531473) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4531473
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C24H22N6O3/c1-15(17-9-11-19(12-10-17)26-23(31)20-13-14-25-30(20)3)27-28-24(32)21-16(2)33-29-22(21)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,26,31)(H,28,32)
InChIKeyWMJQWSYAVUVRGM-UHFFFAOYSA-N
XLogP3.79
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

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US10889564, Example 22
CID 129104683
US10889564, Example 30
CID 129104768
US10889564, Example 34
CID 129104776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide (CID 4531473) is 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide is CC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccnn2C)cc1.
What is the InChIKey of 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is WMJQWSYAVUVRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-15(17-9-11-19(12-10-17)26-23(31)20-13-14-25-30(20)3)27-28-24(32)21-16(2)33-29-22(21)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,26,31)(H,28,32).
What are the key properties of 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4531473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).