1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine

C13H14N4O — CID 116876724

IUPAC1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(-c2ccc3ncoc3c2)[nH]1
InChIInChI=1S/C13H14N4O/c1-8(14)4-13-15-6-11(17-13)9-2-3-10-12(5-9)18-7-16-10/h2-3,5-8H,4,14H2,1H3,(H,15,17)
InChIKeyYOQKREJBPPQPHR-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.11
Rot. Bonds3

About 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine

1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 116876724) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID116876724
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(-c2ccc3ncoc3c2)[nH]1
InChIInChI=1S/C13H14N4O/c1-8(14)4-13-15-6-11(17-13)9-2-3-10-12(5-9)18-7-16-10/h2-3,5-8H,4,14H2,1H3,(H,15,17)
InChIKeyYOQKREJBPPQPHR-UHFFFAOYSA-N
XLogP2.11
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine (CID 116876724) is 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine is CC(N)Cc1ncc(-c2ccc3ncoc3c2)[nH]1.
What is the InChIKey of 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is YOQKREJBPPQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8(14)4-13-15-6-11(17-13)9-2-3-10-12(5-9)18-7-16-10/h2-3,5-8H,4,14H2,1H3,(H,15,17).
What are the key properties of 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine?
1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 242.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 116876724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).