N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C17H15N3O3 — CID 5412914

IUPACN-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)N/N=C\c1ccccc1
InChIInChI=1S/C17H15N3O3/c21-16(19-18-12-13-6-2-1-3-7-13)10-11-20-14-8-4-5-9-15(14)23-17(20)22/h1-9,12H,10-11H2,(H,19,21)/b18-12-
InChIKeyKKBKEISTEOWMCG-PDGQHHTCSA-N
MW309.32 g/mol
LogP2.13
Rot. Bonds5

About N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 5412914) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID5412914
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)N/N=C\c1ccccc1
InChIInChI=1S/C17H15N3O3/c21-16(19-18-12-13-6-2-1-3-7-13)10-11-20-14-8-4-5-9-15(14)23-17(20)22/h1-9,12H,10-11H2,(H,19,21)/b18-12-
InChIKeyKKBKEISTEOWMCG-PDGQHHTCSA-N
XLogP2.13
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
[(E)-3-phenylprop-2-enyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727983
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 5412914) is N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)N/N=C\c1ccccc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is KKBKEISTEOWMCG-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16(19-18-12-13-6-2-1-3-7-13)10-11-20-14-8-4-5-9-15(14)23-17(20)22/h1-9,12H,10-11H2,(H,19,21)/b18-12-.
What are the key properties of N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 309.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 5412914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).