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

C20H30N2O — CID 56662254

IUPACN-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H30N2O/c1-5-6-7-8-16(4)21-13-19-14-23-20(22-19)18-11-9-17(10-12-18)15(2)3/h9-12,14-16,21H,5-8,13H2,1-4H3
InChIKeySXPFSRKAWNPFBJ-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.52
Rot. Bonds9

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

N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (PubChem CID 56662254) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
PubChem CID56662254
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H30N2O/c1-5-6-7-8-16(4)21-13-19-14-23-20(22-19)18-11-9-17(10-12-18)15(2)3/h9-12,14-16,21H,5-8,13H2,1-4H3
InChIKeySXPFSRKAWNPFBJ-UHFFFAOYSA-N
XLogP5.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.52
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-propan-2-ylphenyl)-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

Related Compounds

Diphenyloxazole
CID 168750
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
2-Phenyl-4-oxazolecarboxamide
CID 604678
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10151034
2-(4-chlorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10151335
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The IUPAC name of N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (CID 56662254) is N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.
What is the SMILES notation for N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The canonical SMILES for N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is CCCCCC(C)NCc1coc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The InChIKey is SXPFSRKAWNPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-5-6-7-8-16(4)21-13-19-14-23-20(22-19)18-11-9-17(10-12-18)15(2)3/h9-12,14-16,21H,5-8,13H2,1-4H3.
What are the key properties of N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine has a molecular weight of 314.47 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is sourced from PubChem (CID 56662254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).