4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide

C23H24N4O5 — CID 46524587

IUPAC4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C(C)C)cc1
InChIInChI=1S/C23H24N4O5/c1-14(2)20(24-21(28)16-9-11-17(31-3)12-10-16)23(30)26-25-22(29)18-13-19(32-27-18)15-7-5-4-6-8-15/h4-14,20H,1-3H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyKHBZNHZIYMWNFP-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.57
Rot. Bonds7

About 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 46524587) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide
PubChem CID46524587
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C(C)C)cc1
InChIInChI=1S/C23H24N4O5/c1-14(2)20(24-21(28)16-9-11-17(31-3)12-10-16)23(30)26-25-22(29)18-13-19(32-27-18)15-7-5-4-6-8-15/h4-14,20H,1-3H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyKHBZNHZIYMWNFP-UHFFFAOYSA-N
XLogP2.57
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 39432381
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 17430676
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51069936
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
CID 2676862
(2-bromophenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568597
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 2479098
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
N-[(2S)-1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 35933812

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide (CID 46524587) is 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is KHBZNHZIYMWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-14(2)20(24-21(28)16-9-11-17(31-3)12-10-16)23(30)26-25-22(29)18-13-19(32-27-18)15-7-5-4-6-8-15/h4-14,20H,1-3H3,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 436.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-oxo-1-[2-(5-phenyl-1,2-oxazole-3-carbonyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 46524587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).