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

C16H19BrN2O — CID 106827678

IUPAC4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C16H19BrN2O/c1-16(8-3-2-4-9-16)14-13(15(18)20-19-14)11-6-5-7-12(17)10-11/h5-7,10H,2-4,8-9,18H2,1H3
InChIKeyKXEBCYDMIFOHAB-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.91
Rot. Bonds2

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

4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine (PubChem CID 106827678) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
PubChem CID106827678
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C16H19BrN2O/c1-16(8-3-2-4-9-16)14-13(15(18)20-19-14)11-6-5-7-12(17)10-11/h5-7,10H,2-4,8-9,18H2,1H3
InChIKeyKXEBCYDMIFOHAB-UHFFFAOYSA-N
XLogP4.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine
CID 106827668
4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827670
4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
CID 107179729
4-(2-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827684
4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827667
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
CID 43560862
4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43560872
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-ethyl-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827679

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine (CID 106827678) is 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine is CC1(c2noc(N)c2-c2cccc(Br)c2)CCCCC1.
What is the InChIKey of 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The InChIKey is KXEBCYDMIFOHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-16(8-3-2-4-9-16)14-13(15(18)20-19-14)11-6-5-7-12(17)10-11/h5-7,10H,2-4,8-9,18H2,1H3.
What are the key properties of 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine has a molecular weight of 335.25 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106827678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).