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

C12H11N3O4 — CID 51250800

IUPACN'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2O)on1
InChIInChI=1S/C12H11N3O4/c1-7-6-10(19-15-7)12(18)14-13-11(17)8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,17)(H,14,18)
InChIKeyMIPQXGDCXYKQBC-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.76
Rot. Bonds2

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

N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide (PubChem CID 51250800) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide
PubChem CID51250800
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2O)on1
InChIInChI=1S/C12H11N3O4/c1-7-6-10(19-15-7)12(18)14-13-11(17)8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,17)(H,14,18)
InChIKeyMIPQXGDCXYKQBC-UHFFFAOYSA-N
XLogP0.76
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115598819
N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 35277906
N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 31729161
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide (CID 51250800) is N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccccc2O)on1.
What is the InChIKey of N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The InChIKey is MIPQXGDCXYKQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-7-6-10(19-15-7)12(18)14-13-11(17)8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,17)(H,14,18).
What are the key properties of N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide has a molecular weight of 261.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 51250800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).