N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide

C19H21N3O3 — CID 118520233

IUPACN-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide
SMILESCc1ccc(CCCCN(N)C(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H21N3O3/c1-14-9-11-15(12-10-14)6-4-5-13-21(20)18(23)22-16-7-2-3-8-17(16)25-19(22)24/h2-3,7-12H,4-6,13,20H2,1H3
InChIKeyNXPRMUNHVSHEIA-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.07
Rot. Bonds5

About N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide

N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide (PubChem CID 118520233) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide
PubChem CID118520233
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide
SMILESCc1ccc(CCCCN(N)C(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H21N3O3/c1-14-9-11-15(12-10-14)6-4-5-13-21(20)18(23)22-16-7-2-3-8-17(16)25-19(22)24/h2-3,7-12H,4-6,13,20H2,1H3
InChIKeyNXPRMUNHVSHEIA-UHFFFAOYSA-N
XLogP3.07
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
CID 149456763
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
1-amino-1-(4-phenylbutyl)urea
CID 170908979
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886319
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110792263
N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide
CID 10737032
3-[(2S)-2-methylpent-4-enoyl]-1,3-benzoxazol-2-one
CID 134945542
6-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)hexanoic acid
CID 98033149
N-[(5-methylthiophen-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)butanamide
CID 55390613
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965388
N-(2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 111122153
3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-benzoxazol-2-one
CID 101344654

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide?
The IUPAC name of N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide (CID 118520233) is N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide.
What is the SMILES notation for N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide?
The canonical SMILES for N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide is Cc1ccc(CCCCN(N)C(=O)n2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide?
The InChIKey is NXPRMUNHVSHEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-9-11-15(12-10-14)6-4-5-13-21(20)18(23)22-16-7-2-3-8-17(16)25-19(22)24/h2-3,7-12H,4-6,13,20H2,1H3.
What are the key properties of N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide?
N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide has a molecular weight of 339.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide is sourced from PubChem (CID 118520233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).