3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine

C15H12ClN3O — CID 146018038

IUPAC3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
SMILESNc1cccc(Nc2ncc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C15H12ClN3O/c16-11-6-4-10(5-7-11)14-9-18-15(20-14)19-13-3-1-2-12(17)8-13/h1-9H,17H2,(H,18,19)
InChIKeyRMRVZWMKRCLSFX-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.32
Rot. Bonds3

About 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine

3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine (PubChem CID 146018038) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
PubChem CID146018038
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
SMILESNc1cccc(Nc2ncc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C15H12ClN3O/c16-11-6-4-10(5-7-11)14-9-18-15(20-14)19-13-3-1-2-12(17)8-13/h1-9H,17H2,(H,18,19)
InChIKeyRMRVZWMKRCLSFX-UHFFFAOYSA-N
XLogP4.32
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
The IUPAC name of 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine (CID 146018038) is 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine is Nc1cccc(Nc2ncc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
The InChIKey is RMRVZWMKRCLSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-11-6-4-10(5-7-11)14-9-18-15(20-14)19-13-3-1-2-12(17)8-13/h1-9H,17H2,(H,18,19).
What are the key properties of 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine?
3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine has a molecular weight of 285.73 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 146018038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).