3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

C16H16F5N5O3 — CID 171632120

IUPAC3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(CNc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)N1CCC(CC(F)F)C1
InChIInChI=1S/C16H16F5N5O3/c17-11(18)5-8-3-4-26(7-8)12(27)6-22-15-25-24-14(29-15)9-1-2-10(16(19,20)21)23-13(9)28/h1-2,8,11H,3-7H2,(H,22,25)(H,23,28)
InChIKeyCCEIGZROTZGFBJ-UHFFFAOYSA-N
MW421.33 g/mol
LogP2.36
Rot. Bonds6

About 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171632120) has the molecular formula C16H16F5N5O3 and a molecular weight of 421.33 g/mol. Its IUPAC name is 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171632120
Molecular FormulaC16H16F5N5O3
Molecular Weight421.33 g/mol
Exact Mass421.12
IUPAC Name3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(CNc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)N1CCC(CC(F)F)C1
InChIInChI=1S/C16H16F5N5O3/c17-11(18)5-8-3-4-26(7-8)12(27)6-22-15-25-24-14(29-15)9-1-2-10(16(19,20)21)23-13(9)28/h1-2,8,11H,3-7H2,(H,22,25)(H,23,28)
InChIKeyCCEIGZROTZGFBJ-UHFFFAOYSA-N
XLogP2.36
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Related Compounds

3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 174253316
3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 174253512
3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 171632220
1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632402
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632404
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171631671
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 178127754
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
CID 171631786
N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 171631407
3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632250

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 171632120) is 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(CNc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)N1CCC(CC(F)F)C1.
What is the InChIKey of 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CCEIGZROTZGFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5N5O3/c17-11(18)5-8-3-4-26(7-8)12(27)6-22-15-25-24-14(29-15)9-1-2-10(16(19,20)21)23-13(9)28/h1-2,8,11H,3-7H2,(H,22,25)(H,23,28).
What are the key properties of 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 421.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171632120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).