[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine

C14H16N2O — CID 117329066

IUPAC[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccc(-c3ncco3)cc2)CCC1
InChIInChI=1S/C14H16N2O/c15-10-14(6-1-7-14)12-4-2-11(3-5-12)13-16-8-9-17-13/h2-5,8-9H,1,6-7,10,15H2
InChIKeyNBOQHOQSTLATNE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.72
Rot. Bonds3

About [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine

[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine (PubChem CID 117329066) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine
PubChem CID117329066
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccc(-c3ncco3)cc2)CCC1
InChIInChI=1S/C14H16N2O/c15-10-14(6-1-7-14)12-4-2-11(3-5-12)13-16-8-9-17-13/h2-5,8-9H,1,6-7,10,15H2
InChIKeyNBOQHOQSTLATNE-UHFFFAOYSA-N
XLogP2.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine
CID 117329080
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-(6-chloro-3-pyridinyl)cyclopentyl]methanamine
CID 96865672
[1-(4-phenylphenyl)cyclopropyl]methanamine
CID 82287223
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
2-phenyl-1,3-oxazole;zinc
CID 175242530
[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
CID 117358088
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
CID 117325791
[1-(4-phenyl-2-pyridinyl)cyclobutyl]methanamine
CID 115009399

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine (CID 117329066) is [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine is NCC1(c2ccc(-c3ncco3)cc2)CCC1.
What is the InChIKey of [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is NBOQHOQSTLATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-10-14(6-1-7-14)12-4-2-11(3-5-12)13-16-8-9-17-13/h2-5,8-9H,1,6-7,10,15H2.
What are the key properties of [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine?
[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117329066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).