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

C17H21BrN2O — CID 66199720

IUPAC4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCCC2)c1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O/c18-14-9-7-13(8-10-14)16-15(21-20-17(16)19)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H2,19,20)
InChIKeyKAEKGOOXCUHGBX-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.20
Rot. Bonds4

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

4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine (PubChem CID 66199720) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine
PubChem CID66199720
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCCC2)c1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O/c18-14-9-7-13(8-10-14)16-15(21-20-17(16)19)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H2,19,20)
InChIKeyKAEKGOOXCUHGBX-UHFFFAOYSA-N
XLogP5.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine (CID 66199720) is 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine is Nc1noc(CCC2CCCCC2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine?
The InChIKey is KAEKGOOXCUHGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-14-9-7-13(8-10-14)16-15(21-20-17(16)19)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H2,19,20).
What are the key properties of 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine has a molecular weight of 349.27 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).