1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

C14H14F3N5O3 — CID 145423082

IUPAC1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCC(C)C1NN=C(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)O1
InChIInChI=1S/C14H14F3N5O3/c1-7(2)12-20-19-9(24-12)6-22-4-3-8(5-10(22)23)11-18-13(25-21-11)14(15,16)17/h3-5,7,12,20H,6H2,1-2H3
InChIKeyLRYJDLVNEXGMBP-UHFFFAOYSA-N
MW357.29 g/mol
LogP1.83
Rot. Bonds4

About 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 145423082) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID145423082
Molecular FormulaC14H14F3N5O3
Molecular Weight357.29 g/mol
Exact Mass357.10
IUPAC Name1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCC(C)C1NN=C(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)O1
InChIInChI=1S/C14H14F3N5O3/c1-7(2)12-20-19-9(24-12)6-22-4-3-8(5-10(22)23)11-18-13(25-21-11)14(15,16)17/h3-5,7,12,20H,6H2,1-2H3
InChIKeyLRYJDLVNEXGMBP-UHFFFAOYSA-N
XLogP1.83
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423086
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423118
1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423125
[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
CID 145423147
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one
CID 146309700
1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 147042694
3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1H-pyrazol-5-one
CID 139532702
3,3,3-trifluoro-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768642
3-[4-[(5-methylindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532772
2-benzyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-one
CID 134537749
3-[4-[(4,5-dichloroimidazol-1-yl)methyl]-3-fluorophenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532712
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one
CID 146309662

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 145423082) is 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is CC(C)C1NN=C(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)O1.
What is the InChIKey of 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is LRYJDLVNEXGMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3/c1-7(2)12-20-19-9(24-12)6-22-4-3-8(5-10(22)23)11-18-13(25-21-11)14(15,16)17/h3-5,7,12,20H,6H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 357.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 145423082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).