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

C17H24N2O — CID 46219504

IUPACN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCCCCc1ccc(-c2nc(CNC(C)C)co2)cc1
InChIInChI=1S/C17H24N2O/c1-4-5-6-14-7-9-15(10-8-14)17-19-16(12-20-17)11-18-13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3
InChIKeyBQJWXKPYFKJBKA-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.18
Rot. Bonds7

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

N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 46219504) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID46219504
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCCCCc1ccc(-c2nc(CNC(C)C)co2)cc1
InChIInChI=1S/C17H24N2O/c1-4-5-6-14-7-9-15(10-8-14)17-19-16(12-20-17)11-18-13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3
InChIKeyBQJWXKPYFKJBKA-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-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-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 46219504) is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CCCCc1ccc(-c2nc(CNC(C)C)co2)cc1.
What is the InChIKey of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is BQJWXKPYFKJBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-6-14-7-9-15(10-8-14)17-19-16(12-20-17)11-18-13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3.
What are the key properties of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 46219504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).