3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine

C13H18N2O — CID 82230825

IUPAC3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCC(C)c1cccc2nc(CCCN)oc12
InChIInChI=1S/C13H18N2O/c1-9(2)10-5-3-6-11-13(10)16-12(15-11)7-4-8-14/h3,5-6,9H,4,7-8,14H2,1-2H3
InChIKeyXNBICJHJIADXSD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds4

About 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine

3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine (PubChem CID 82230825) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine
PubChem CID82230825
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCC(C)c1cccc2nc(CCCN)oc12
InChIInChI=1S/C13H18N2O/c1-9(2)10-5-3-6-11-13(10)16-12(15-11)7-4-8-14/h3,5-6,9H,4,7-8,14H2,1-2H3
InChIKeyXNBICJHJIADXSD-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-propan-2-yl-1,3-benzoxazol-2-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

N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230283
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
CID 131092416
3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
CID 84622657
(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
2-[2-(3-methylphenyl)ethyl]-1,3-benzoxazol-7-amine
CID 28752287
4-(7-bromo-1,3-benzoxazol-2-yl)pentan-1-amine
CID 104685987
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-(3-methoxybutyl)-1,3-benzoxazole-7-carboxylic acid
CID 113382261

Frequently Asked Questions

What is the IUPAC name of 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine?
The IUPAC name of 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine (CID 82230825) is 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine is CC(C)c1cccc2nc(CCCN)oc12.
What is the InChIKey of 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine?
The InChIKey is XNBICJHJIADXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)10-5-3-6-11-13(10)16-12(15-11)7-4-8-14/h3,5-6,9H,4,7-8,14H2,1-2H3.
What are the key properties of 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine?
3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine is sourced from PubChem (CID 82230825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).