[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine

C14H15BrN2O — CID 102543920

IUPAC[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine
SMILESNCC1(c2cc(-c3ccc(Br)cc3)on2)CCC1
InChIInChI=1S/C14H15BrN2O/c15-11-4-2-10(3-5-11)12-8-13(17-18-12)14(9-16)6-1-7-14/h2-5,8H,1,6-7,9,16H2
InChIKeyWPQUUQOCWMRFJF-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.48
Rot. Bonds3

About [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine

[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine (PubChem CID 102543920) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine
PubChem CID102543920
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine
SMILESNCC1(c2cc(-c3ccc(Br)cc3)on2)CCC1
InChIInChI=1S/C14H15BrN2O/c15-11-4-2-10(3-5-11)12-8-13(17-18-12)14(9-16)6-1-7-14/h2-5,8H,1,6-7,9,16H2
InChIKeyWPQUUQOCWMRFJF-UHFFFAOYSA-N
XLogP3.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol
CID 102543907
[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
CID 116896148
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865366
[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
CID 102543893
1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
CID 102543853
[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005
[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride
CID 169448349
[1-(4-phenyl-2-pyridinyl)cyclobutyl]methanamine
CID 115009399
[1-(3-methyl-1,2-oxazol-5-yl)cyclopentyl]methanamine
CID 82600680
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone;hydrochloride
CID 45370973
[1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
CID 102543898

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine (CID 102543920) is [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine is NCC1(c2cc(-c3ccc(Br)cc3)on2)CCC1.
What is the InChIKey of [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine?
The InChIKey is WPQUUQOCWMRFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-11-4-2-10(3-5-11)12-8-13(17-18-12)14(9-16)6-1-7-14/h2-5,8H,1,6-7,9,16H2.
What are the key properties of [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine?
[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine has a molecular weight of 307.19 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine is sourced from PubChem (CID 102543920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).