4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine

C17H18F3N3O2 — CID 154736478

IUPAC4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCC1COC(c2cccc(C(F)(F)F)c2)CN1c1nnc(C2CC2)o1
InChIInChI=1S/C17H18F3N3O2/c1-10-9-24-14(12-3-2-4-13(7-12)17(18,19)20)8-23(10)16-22-21-15(25-16)11-5-6-11/h2-4,7,10-11,14H,5-6,8-9H2,1H3
InChIKeyPKUCZMQVCGAFKM-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.93
Rot. Bonds3

About 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine (PubChem CID 154736478) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine
PubChem CID154736478
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCC1COC(c2cccc(C(F)(F)F)c2)CN1c1nnc(C2CC2)o1
InChIInChI=1S/C17H18F3N3O2/c1-10-9-24-14(12-3-2-4-13(7-12)17(18,19)20)8-23(10)16-22-21-15(25-16)11-5-6-11/h2-4,7,10-11,14H,5-6,8-9H2,1H3
InChIKeyPKUCZMQVCGAFKM-UHFFFAOYSA-N
XLogP3.93
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-YL)morpholine
CID 72847711
2-Cyclopropyl-5-{3-[(2-fluorobenzyl)oxy]azetidin-1-yl}-1,3,4-oxadiazole
CID 72921626
(2R)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188854
(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188855
4-(5-Methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
CID 126803663
2-(2,4-Difluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 126804384
2-(4-Fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 126827008
4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 128101586
2-(2-Fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 132357452
2-(2-Chloro-4-fluorophenyl)-4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)morpholine
CID 136536708
1-[2,2-Dimethyl-6-[3-(trifluoromethyl)phenyl]morpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 137836761
4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,2-dimethyl-6-[3-(trifluoromethyl)phenyl]morpholine
CID 137865088

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine (CID 154736478) is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine is CC1COC(c2cccc(C(F)(F)F)c2)CN1c1nnc(C2CC2)o1.
What is the InChIKey of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is PKUCZMQVCGAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10-9-24-14(12-3-2-4-13(7-12)17(18,19)20)8-23(10)16-22-21-15(25-16)11-5-6-11/h2-4,7,10-11,14H,5-6,8-9H2,1H3.
What are the key properties of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine?
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 353.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 154736478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).