4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine

C16H18ClFN2O — CID 106827667

IUPAC4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2c(F)cccc2Cl)CCCCC1
InChIInChI=1S/C16H18ClFN2O/c1-16(8-3-2-4-9-16)14-13(15(19)21-20-14)12-10(17)6-5-7-11(12)18/h5-7H,2-4,8-9,19H2,1H3
InChIKeyGCSWROAOISHYIP-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.94
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine (PubChem CID 106827667) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
PubChem CID106827667
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2c(F)cccc2Cl)CCCCC1
InChIInChI=1S/C16H18ClFN2O/c1-16(8-3-2-4-9-16)14-13(15(19)21-20-14)12-10(17)6-5-7-11(12)18/h5-7H,2-4,8-9,19H2,1H3
InChIKeyGCSWROAOISHYIP-UHFFFAOYSA-N
XLogP4.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827684
4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827670
3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine
CID 106827668
4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827678
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 43335678
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645373
4-(2-chloro-6-fluorophenyl)-5-cycloheptyl-1,2-oxazol-3-amine
CID 66199498
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine (CID 106827667) is 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine is CC1(c2noc(N)c2-c2c(F)cccc2Cl)CCCCC1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
The InChIKey is GCSWROAOISHYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-16(8-3-2-4-9-16)14-13(15(19)21-20-14)12-10(17)6-5-7-11(12)18/h5-7H,2-4,8-9,19H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine has a molecular weight of 308.78 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106827667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).