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

C16H19ClN2O — CID 106827670

IUPAC4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H19ClN2O/c1-16(9-3-2-4-10-16)14-13(15(18)20-19-14)11-5-7-12(17)8-6-11/h5-8H,2-4,9-10,18H2,1H3
InChIKeyMRKNQTAQAORNMP-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.80
Rot. Bonds2

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

4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine (PubChem CID 106827670) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
PubChem CID106827670
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H19ClN2O/c1-16(9-3-2-4-10-16)14-13(15(18)20-19-14)11-5-7-12(17)8-6-11/h5-8H,2-4,9-10,18H2,1H3
InChIKeyMRKNQTAQAORNMP-UHFFFAOYSA-N
XLogP4.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.80
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-(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-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827678
4-ethyl-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827679
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291995
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
3-(1-ethylcyclopentyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522960
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
CID 107179712

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine (CID 106827670) is 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine is CC1(c2noc(N)c2-c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The InChIKey is MRKNQTAQAORNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(9-3-2-4-10-16)14-13(15(18)20-19-14)11-5-7-12(17)8-6-11/h5-8H,2-4,9-10,18H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine has a molecular weight of 290.79 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106827670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).