N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline

C13H14N4O3 — CID 165351380

IUPACN-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline
SMILESCC(Cc1cc(C)on1)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H14N4O3/c1-9(7-12-8-10(2)20-16-12)14-15-11-3-5-13(6-4-11)17(18)19/h3-6,8,15H,7H2,1-2H3
InChIKeyXJGQKIJINHJFQG-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline

N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline (PubChem CID 165351380) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline
PubChem CID165351380
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline
SMILESCC(Cc1cc(C)on1)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H14N4O3/c1-9(7-12-8-10(2)20-16-12)14-15-11-3-5-13(6-4-11)17(18)19/h3-6,8,15H,7H2,1-2H3
InChIKeyXJGQKIJINHJFQG-UHFFFAOYSA-N
XLogP2.92
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline 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

4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
[4-hydroxy-2,3,5-trimethyl-6-[(2E)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] acetate
CID 56694947
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
CID 3579160
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate
CID 6269804
2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-nitroaniline
CID 47406152
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
N-[(E)-butylideneamino]-4-nitroaniline
CID 11095804

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline?
The IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline (CID 165351380) is N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline?
The canonical SMILES for N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline is CC(Cc1cc(C)on1)=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline?
The InChIKey is XJGQKIJINHJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9(7-12-8-10(2)20-16-12)14-15-11-3-5-13(6-4-11)17(18)19/h3-6,8,15H,7H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline?
N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline has a molecular weight of 274.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2-oxazol-3-yl)propan-2-ylideneamino]-4-nitroaniline is sourced from PubChem (CID 165351380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).