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

C18H23F3N2O2 — CID 143726675

IUPAC2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde
SMILESCNC1=C(c2ccccc2)NC(C2CCCCC2)O1.O=CC(F)(F)F
InChIInChI=1S/C16H22N2O.C2HF3O/c1-17-16-14(12-8-4-2-5-9-12)18-15(19-16)13-10-6-3-7-11-13;3-2(4,5)1-6/h2,4-5,8-9,13,15,17-18H,3,6-7,10-11H2,1H3;1H
InChIKeyHVKYFEGWLYJQOO-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.81
Rot. Bonds3

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

2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 143726675) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde
PubChem CID143726675
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde
SMILESCNC1=C(c2ccccc2)NC(C2CCCCC2)O1.O=CC(F)(F)F
InChIInChI=1S/C16H22N2O.C2HF3O/c1-17-16-14(12-8-4-2-5-9-12)18-15(19-16)13-10-6-3-7-11-13;3-2(4,5)1-6/h2,4-5,8-9,13,15,17-18H,3,6-7,10-11H2,1H3;1H
InChIKeyHVKYFEGWLYJQOO-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde
CID 143726678
2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine
CID 143726676

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde (CID 143726675) is 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde is CNC1=C(c2ccccc2)NC(C2CCCCC2)O1.O=CC(F)(F)F.
What is the InChIKey of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde?
The InChIKey is HVKYFEGWLYJQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C2HF3O/c1-17-16-14(12-8-4-2-5-9-12)18-15(19-16)13-10-6-3-7-11-13;3-2(4,5)1-6/h2,4-5,8-9,13,15,17-18H,3,6-7,10-11H2,1H3;1H.
What are the key properties of 2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde?
2-cyclohexyl-N-methyl-4-phenyl-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 356.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 143726675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).