N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide

C12H13N3O2 — CID 67841632

IUPACN'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1oncc1C(=O)NNCc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-9-11(8-14-17-9)12(16)15-13-7-10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyKQXSHQIKMCWYJJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.42
Rot. Bonds4

About N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide

N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 67841632) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID67841632
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1oncc1C(=O)NNCc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-9-11(8-14-17-9)12(16)15-13-7-10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyKQXSHQIKMCWYJJ-UHFFFAOYSA-N
XLogP1.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.42
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

ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71806156
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
N-benzyl-5-methyl-1,2-oxazol-4-amine
CID 13483375
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114309588
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide;formic acid
CID 155972549

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide (CID 67841632) is N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide is Cc1oncc1C(=O)NNCc1ccccc1.
What is the InChIKey of N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is KQXSHQIKMCWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-11(8-14-17-9)12(16)15-13-7-10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3,(H,15,16).
What are the key properties of N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 231.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 67841632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).