5-benzyl-1,3-oxazole-4-carbohydrazide

C11H11N3O2 — CID 100802146

IUPAC5-benzyl-1,3-oxazole-4-carbohydrazide
SMILESNNC(=O)c1ncoc1Cc1ccccc1
InChIInChI=1S/C11H11N3O2/c12-14-11(15)10-9(16-7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,14,15)
InChIKeyBNSVPBMQHYVRHP-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.87
Rot. Bonds3

About 5-benzyl-1,3-oxazole-4-carbohydrazide

5-benzyl-1,3-oxazole-4-carbohydrazide (PubChem CID 100802146) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-benzyl-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-benzyl-1,3-oxazole-4-carbohydrazide
PubChem CID100802146
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-benzyl-1,3-oxazole-4-carbohydrazide
SMILESNNC(=O)c1ncoc1Cc1ccccc1
InChIInChI=1S/C11H11N3O2/c12-14-11(15)10-9(16-7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,14,15)
InChIKeyBNSVPBMQHYVRHP-UHFFFAOYSA-N
XLogP0.87
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
5-tert-butyl-1,3-oxazole-4-carbohydrazide
CID 71671584
1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
CID 112545403
2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201948
benzohydrazide;molybdenum
CID 162076561
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 134397018
N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 6489706
benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 23532304
4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201237
benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 170414122
5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
CID 117275266
5-[2-(3-bromophenyl)ethyl]-1,3-oxazole-4-carboxylic acid
CID 82094491

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-oxazole-4-carbohydrazide?
The IUPAC name of 5-benzyl-1,3-oxazole-4-carbohydrazide (CID 100802146) is 5-benzyl-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-benzyl-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for 5-benzyl-1,3-oxazole-4-carbohydrazide is NNC(=O)c1ncoc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1,3-oxazole-4-carbohydrazide?
The InChIKey is BNSVPBMQHYVRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-14-11(15)10-9(16-7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,14,15).
What are the key properties of 5-benzyl-1,3-oxazole-4-carbohydrazide?
5-benzyl-1,3-oxazole-4-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 100802146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).