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

C17H21BrN2O — CID 107179729

IUPAC4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(C)CCCCC1c1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-17(2)9-4-3-8-13(17)15-14(16(19)21-20-15)11-6-5-7-12(18)10-11/h5-7,10,13H,3-4,8-9,19H2,1-2H3
InChIKeyKDPNESFXPBZZDX-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.37
Rot. Bonds2

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

4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine (PubChem CID 107179729) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
PubChem CID107179729
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(C)CCCCC1c1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-17(2)9-4-3-8-13(17)15-14(16(19)21-20-15)11-6-5-7-12(18)10-11/h5-7,10,13H,3-4,8-9,19H2,1-2H3
InChIKeyKDPNESFXPBZZDX-UHFFFAOYSA-N
XLogP5.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827678
4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
CID 43560862
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
CID 107179712
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
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
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine
CID 104520006
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43560872

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine (CID 107179729) is 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine is CC1(C)CCCCC1c1noc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine?
The InChIKey is KDPNESFXPBZZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-17(2)9-4-3-8-13(17)15-14(16(19)21-20-15)11-6-5-7-12(18)10-11/h5-7,10,13H,3-4,8-9,19H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine has a molecular weight of 349.27 g/mol, XLogP of 5.37, 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-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107179729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).