1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine

C11H14N2O — CID 60918146

IUPAC1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2cc(C)ccc2o1
InChIInChI=1S/C11H14N2O/c1-3-8(12)11-13-9-6-7(2)4-5-10(9)14-11/h4-6,8H,3,12H2,1-2H3
InChIKeyFVPVTCWFALGUDW-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.55
Rot. Bonds2

About 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine

1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine (PubChem CID 60918146) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
PubChem CID60918146
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2cc(C)ccc2o1
InChIInChI=1S/C11H14N2O/c1-3-8(12)11-13-9-6-7(2)4-5-10(9)14-11/h4-6,8H,3,12H2,1-2H3
InChIKeyFVPVTCWFALGUDW-UHFFFAOYSA-N
XLogP2.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-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

2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 81085051
1-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 54936860
5-methyl-2-(6-methylheptan-3-yl)-1,3-benzoxazole
CID 144503892
2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 62882624
3-amino-2-(5-methyl-1,3-benzoxazol-2-yl)-3-oxopropanoic acid
CID 57017901
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N-ethyl-5-methyl-1,3-benzoxazol-2-amine
CID 15684675
1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 43436695
1-(4-bromo-6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82379435
1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
CID 114918250
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
CID 65221798

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
The IUPAC name of 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine (CID 60918146) is 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine is CCC(N)c1nc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
The InChIKey is FVPVTCWFALGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-8(12)11-13-9-6-7(2)4-5-10(9)14-11/h4-6,8H,3,12H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine has a molecular weight of 190.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine is sourced from PubChem (CID 60918146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).