4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine

C16H19BrN2O — CID 43560862

IUPAC4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
SMILESNc1onc(CCC2CCCC2)c1-c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c17-13-7-3-6-12(10-13)15-14(19-20-16(15)18)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9,18H2
InChIKeyRIMJHDXWKYOFMZ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.81
Rot. Bonds4

About 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine

4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine (PubChem CID 43560862) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
PubChem CID43560862
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
SMILESNc1onc(CCC2CCCC2)c1-c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c17-13-7-3-6-12(10-13)15-14(19-20-16(15)18)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9,18H2
InChIKeyRIMJHDXWKYOFMZ-UHFFFAOYSA-N
XLogP4.81
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124
4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43560872
4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine
CID 63950754
4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
CID 66200452
4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
CID 107179729
4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine
CID 66199720
4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827678
3-(cyclopentylmethyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524956
4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
CID 114458197
3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80525003
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine (CID 43560862) is 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine is Nc1onc(CCC2CCCC2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine?
The InChIKey is RIMJHDXWKYOFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-13-7-3-6-12(10-13)15-14(19-20-16(15)18)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9,18H2.
What are the key properties of 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine has a molecular weight of 335.25 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43560862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).