3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine

C14H16N4O — CID 116876940

IUPAC3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1nc2cc(-c3cnc(CCCN)[nH]3)ccc2o1
InChIInChI=1S/C14H16N4O/c1-9-17-11-7-10(4-5-13(11)19-9)12-8-16-14(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyGPMBXYZEMURWHH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.42
Rot. Bonds4

About 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine

3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876940) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876940
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1nc2cc(-c3cnc(CCCN)[nH]3)ccc2o1
InChIInChI=1S/C14H16N4O/c1-9-17-11-7-10(4-5-13(11)19-9)12-8-16-14(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyGPMBXYZEMURWHH-UHFFFAOYSA-N
XLogP2.42
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-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

3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine
CID 116898105
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine
CID 82387335
[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
CID 116828786
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
4-(2-methyl-1,3-benzoxazol-5-yl)-1,3-dihydroimidazole-2-thione
CID 116879611
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine
CID 84610361
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116876940) is 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine is Cc1nc2cc(-c3cnc(CCCN)[nH]3)ccc2o1.
What is the InChIKey of 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is GPMBXYZEMURWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-17-11-7-10(4-5-13(11)19-9)12-8-16-14(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 256.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).