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

C24H22N6O3 — CID 4144342

IUPAC5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1cccc(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C24H22N6O3/c1-15(18-10-7-11-19(14-18)26-23(31)20-12-13-25-30(20)3)27-28-24(32)21-16(2)33-29-22(21)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,26,31)(H,28,32)
InChIKeyDBBHSTHFSCZRBW-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.79
Rot. Bonds6

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

5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4144342) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4144342
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1cccc(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C24H22N6O3/c1-15(18-10-7-11-19(14-18)26-23(31)20-12-13-25-30(20)3)27-28-24(32)21-16(2)33-29-22(21)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,26,31)(H,28,32)
InChIKeyDBBHSTHFSCZRBW-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-[3-[(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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N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
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US10889564, Example 22
CID 129104683
US10889564, Example 30
CID 129104768
US10889564, Example 34
CID 129104776
US10889564, Example 29
CID 129104778
US10889564, Example 31
CID 129126994

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide (CID 4144342) is 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide is CC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1cccc(NC(=O)c2ccnn2C)c1.
What is the InChIKey of 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DBBHSTHFSCZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-15(18-10-7-11-19(14-18)26-23(31)20-12-13-25-30(20)3)27-28-24(32)21-16(2)33-29-22(21)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,26,31)(H,28,32).
What are the key properties of 5-methyl-N-[1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[1-[3-[(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-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4144342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).