3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine

C13H16N2O2 — CID 116870084

IUPAC3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
SMILESNCCCC1(c2ccc3ncoc3c2)COC1
InChIInChI=1S/C13H16N2O2/c14-5-1-4-13(7-16-8-13)10-2-3-11-12(6-10)17-9-15-11/h2-3,6,9H,1,4-5,7-8,14H2
InChIKeyAVUWGJYOWSDAOM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.83
Rot. Bonds4

About 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine

3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine (PubChem CID 116870084) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
PubChem CID116870084
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
SMILESNCCCC1(c2ccc3ncoc3c2)COC1
InChIInChI=1S/C13H16N2O2/c14-5-1-4-13(7-16-8-13)10-2-3-11-12(6-10)17-9-15-11/h2-3,6,9H,1,4-5,7-8,14H2
InChIKeyAVUWGJYOWSDAOM-UHFFFAOYSA-N
XLogP1.83
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-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

4-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]butanoic acid
CID 116871995
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propanenitrile
CID 116873395
1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869292
3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870087
3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876205
2-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873662
6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870823
6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870937
3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
CID 116870061
1,3-benzoxazol-6-ylmethanamine
CID 55219292
N'-(1,3-benzoxazol-6-yl)-N'-methylbutane-1,4-diamine
CID 115201146
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870103

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine (CID 116870084) is 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine is NCCCC1(c2ccc3ncoc3c2)COC1.
What is the InChIKey of 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine?
The InChIKey is AVUWGJYOWSDAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-5-1-4-13(7-16-8-13)10-2-3-11-12(6-10)17-9-15-11/h2-3,6,9H,1,4-5,7-8,14H2.
What are the key properties of 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine?
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine has a molecular weight of 232.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).