2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine

C16H22N2O — CID 143726676

IUPAC2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine
SMILESCNC1=C(c2ccccc2)NC(C2CCCCC2)O1
InChIInChI=1S/C16H22N2O/c1-17-16-14(12-8-4-2-5-9-12)18-15(19-16)13-10-6-3-7-11-13/h2,4-5,8-9,13,15,17-18H,3,6-7,10-11H2,1H3
InChIKeyPVORRJYRKQPUFP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds3

About 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine

2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine (PubChem CID 143726676) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine
PubChem CID143726676
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine
SMILESCNC1=C(c2ccccc2)NC(C2CCCCC2)O1
InChIInChI=1S/C16H22N2O/c1-17-16-14(12-8-4-2-5-9-12)18-15(19-16)13-10-6-3-7-11-13/h2,4-5,8-9,13,15,17-18H,3,6-7,10-11H2,1H3
InChIKeyPVORRJYRKQPUFP-UHFFFAOYSA-N
XLogP3.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine?
The IUPAC name of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine (CID 143726676) is 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine.
What is the SMILES notation for 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine?
The canonical SMILES for 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine is CNC1=C(c2ccccc2)NC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine?
The InChIKey is PVORRJYRKQPUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-16-14(12-8-4-2-5-9-12)18-15(19-16)13-10-6-3-7-11-13/h2,4-5,8-9,13,15,17-18H,3,6-7,10-11H2,1H3.
What are the key properties of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine?
2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine is sourced from PubChem (CID 143726676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).