N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine

C23H28N2O — CID 46220397

IUPACN-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H28N2O/c1-3-4-6-9-18(2)24-16-22-17-26-23(25-22)21-14-12-20(13-15-21)19-10-7-5-8-11-19/h5,7-8,10-15,17-18,24H,3-4,6,9,16H2,1-2H3
InChIKeyHNFXQYHDBDKWDZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.07
Rot. Bonds9

About N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine

N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (PubChem CID 46220397) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
PubChem CID46220397
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H28N2O/c1-3-4-6-9-18(2)24-16-22-17-26-23(25-22)21-14-12-20(13-15-21)19-10-7-5-8-11-19/h5,7-8,10-15,17-18,24H,3-4,6,9,16H2,1-2H3
InChIKeyHNFXQYHDBDKWDZ-UHFFFAOYSA-N
XLogP6.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine 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 N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The IUPAC name of N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (CID 46220397) is N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.
What is the SMILES notation for N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The canonical SMILES for N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is CCCCCC(C)NCc1coc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The InChIKey is HNFXQYHDBDKWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-3-4-6-9-18(2)24-16-22-17-26-23(25-22)21-14-12-20(13-15-21)19-10-7-5-8-11-19/h5,7-8,10-15,17-18,24H,3-4,6,9,16H2,1-2H3.
What are the key properties of N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine has a molecular weight of 348.49 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is sourced from PubChem (CID 46220397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).