4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine

C13H16N2O — CID 117308348

IUPAC4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine
SMILESNCCCCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H16N2O/c14-8-2-1-3-11-4-6-12(7-5-11)13-15-9-10-16-13/h4-7,9-10H,1-3,8,14H2
InChIKeyUTCPCXGVSJRWFV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.62
Rot. Bonds5

About 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine

4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine (PubChem CID 117308348) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine
PubChem CID117308348
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine
SMILESNCCCCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H16N2O/c14-8-2-1-3-11-4-6-12(7-5-11)13-15-9-10-16-13/h4-7,9-10H,1-3,8,14H2
InChIKeyUTCPCXGVSJRWFV-UHFFFAOYSA-N
XLogP2.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-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

2-(4-heptylphenyl)-1,3-oxazole
CID 59546194
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine
CID 117329066
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
6-(4-pyridazin-3-ylphenyl)hexan-1-amine
CID 140974870
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
2-(4-pyridin-2-ylphenyl)-1,3-oxazole
CID 142277060
(E)-3-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 150452876
5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326354
10-(4-bromophenyl)decan-1-amine
CID 70564089
6-(4-propylphenyl)hexan-1-amine
CID 65300510

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine?
The IUPAC name of 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine (CID 117308348) is 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine?
The canonical SMILES for 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine is NCCCCc1ccc(-c2ncco2)cc1.
What is the InChIKey of 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine?
The InChIKey is UTCPCXGVSJRWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-2-1-3-11-4-6-12(7-5-11)13-15-9-10-16-13/h4-7,9-10H,1-3,8,14H2.
What are the key properties of 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine?
4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine is sourced from PubChem (CID 117308348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).