[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine

C15H16N4O — CID 116882317

IUPAC[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine
SMILESNCC1(c2ncc(-c3ccc4ncoc4c3)[nH]2)CCC1
InChIInChI=1S/C15H16N4O/c16-8-15(4-1-5-15)14-17-7-12(19-14)10-2-3-11-13(6-10)20-9-18-11/h2-3,6-7,9H,1,4-5,8,16H2,(H,17,19)
InChIKeyONNYFIRCVFLWJO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.60
Rot. Bonds3

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

[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine (PubChem CID 116882317) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine
PubChem CID116882317
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine
SMILESNCC1(c2ncc(-c3ccc4ncoc4c3)[nH]2)CCC1
InChIInChI=1S/C15H16N4O/c16-8-15(4-1-5-15)14-17-7-12(19-14)10-2-3-11-13(6-10)20-9-18-11/h2-3,6-7,9H,1,4-5,8,16H2,(H,17,19)
InChIKeyONNYFIRCVFLWJO-UHFFFAOYSA-N
XLogP2.60
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118
1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876724
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
CID 116877525
[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882338
[3-(5-phenyl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882707
[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882734
[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882740
[1-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882113
[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882099
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1,3-benzoxazol-6-yl)ethanamine
CID 115245921
[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882103

Frequently Asked Questions

What is the IUPAC name of [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine (CID 116882317) is [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine is NCC1(c2ncc(-c3ccc4ncoc4c3)[nH]2)CCC1.
What is the InChIKey of [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
The InChIKey is ONNYFIRCVFLWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-8-15(4-1-5-15)14-17-7-12(19-14)10-2-3-11-13(6-10)20-9-18-11/h2-3,6-7,9H,1,4-5,8,16H2,(H,17,19).
What are the key properties of [1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.60, 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]cyclobutyl]methanamine is sourced from PubChem (CID 116882317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).