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

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Related Compounds

1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198
[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882317
6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
CID 116877525
4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966108
3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876940
5-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]-1,3-benzoxazole
CID 122594511
1-[2-(1,3-benzoxazol-6-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116884498
6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 67417079
6-propan-2-yl-1,3-benzoxazole
CID 21354846

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).