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

C16H20N2O — CID 106827668

IUPAC3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2ccccc2)CCCCC1
InChIInChI=1S/C16H20N2O/c1-16(10-6-3-7-11-16)14-13(15(17)19-18-14)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11,17H2,1H3
InChIKeyNCRJDSRENRPYAJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.15
Rot. Bonds2

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

3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 106827668) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID106827668
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine
SMILESCC1(c2noc(N)c2-c2ccccc2)CCCCC1
InChIInChI=1S/C16H20N2O/c1-16(10-6-3-7-11-16)14-13(15(17)19-18-14)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11,17H2,1H3
InChIKeyNCRJDSRENRPYAJ-UHFFFAOYSA-N
XLogP4.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827670
4-(3-bromophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827678
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
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
4-ethyl-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827679
3-(1-ethylcyclopentyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522960
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine
CID 139771029
4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine
CID 62881244
3-(2-methyl-4-pyridinyl)-4-phenyl-1,2-oxazol-5-amine
CID 106753190
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine (CID 106827668) is 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine is CC1(c2noc(N)c2-c2ccccc2)CCCCC1.
What is the InChIKey of 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is NCRJDSRENRPYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(10-6-3-7-11-16)14-13(15(17)19-18-14)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11,17H2,1H3.
What are the key properties of 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine?
3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 106827668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).