5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide

C13H13N3O3 — CID 4109679

IUPAC5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C13H13N3O3/c1-8-3-5-10(6-4-8)12(17)14-15-13(18)11-7-9(2)19-16-11/h3-7H,1-2H3,(H,14,17)(H,15,18)
InChIKeyRSISXBXKMSZUDD-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.37
Rot. Bonds2

About 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide

5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 4109679) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
PubChem CID4109679
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C13H13N3O3/c1-8-3-5-10(6-4-8)12(17)14-15-13(18)11-7-9(2)19-16-11/h3-7H,1-2H3,(H,14,17)(H,15,18)
InChIKeyRSISXBXKMSZUDD-UHFFFAOYSA-N
XLogP1.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-(3-methylphenyl)thiourea
CID 843903
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide
CID 47414337
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 162673686
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 3271870
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 3170438

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide (CID 4109679) is 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cc(C)on2)cc1.
What is the InChIKey of 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is RSISXBXKMSZUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-3-5-10(6-4-8)12(17)14-15-13(18)11-7-9(2)19-16-11/h3-7H,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide?
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 259.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 4109679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).