1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one

C17H18F3N3O4 — CID 126783379

IUPAC1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCc1noc(C2COCCN2C(=O)CCc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C17H18F3N3O4/c1-11-21-16(27-22-11)13-10-25-9-8-23(13)15(24)7-6-12-4-2-3-5-14(12)26-17(18,19)20/h2-5,13H,6-10H2,1H3
InChIKeyKYXAIAKOHCEPGY-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.81
Rot. Bonds5

About 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 126783379) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID126783379
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCc1noc(C2COCCN2C(=O)CCc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C17H18F3N3O4/c1-11-21-16(27-22-11)13-10-25-9-8-23(13)15(24)7-6-12-4-2-3-5-14(12)26-17(18,19)20/h2-5,13H,6-10H2,1H3
InChIKeyKYXAIAKOHCEPGY-UHFFFAOYSA-N
XLogP2.81
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one (CID 126783379) is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one is Cc1noc(C2COCCN2C(=O)CCc2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is KYXAIAKOHCEPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-11-21-16(27-22-11)13-10-25-9-8-23(13)15(24)7-6-12-4-2-3-5-14(12)26-17(18,19)20/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 385.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 126783379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).