3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide

C22H25ClF3N3O4 — CID 137491556

IUPAC3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide
SMILESO=C(NCCC1(c2nnc(C3CC(OC(F)(F)F)C3)o2)CCC1)C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClF3N3O4/c23-15-4-2-13(3-5-15)10-17(30)18(31)27-9-8-21(6-1-7-21)20-29-28-19(32-20)14-11-16(12-14)33-22(24,25)26/h2-5,14,16-17,30H,1,6-12H2,(H,27,31)
InChIKeyNWAXWWUNCXWAGL-UHFFFAOYSA-N
MW487.91 g/mol
LogP4.04
Rot. Bonds9

About 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide

3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide (PubChem CID 137491556) has the molecular formula C22H25ClF3N3O4 and a molecular weight of 487.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide
PubChem CID137491556
Molecular FormulaC22H25ClF3N3O4
Molecular Weight487.91 g/mol
Exact Mass487.15
IUPAC Name3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide
SMILESO=C(NCCC1(c2nnc(C3CC(OC(F)(F)F)C3)o2)CCC1)C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClF3N3O4/c23-15-4-2-13(3-5-15)10-17(30)18(31)27-9-8-21(6-1-7-21)20-29-28-19(32-20)14-11-16(12-14)33-22(24,25)26/h2-5,14,16-17,30H,1,6-12H2,(H,27,31)
InChIKeyNWAXWWUNCXWAGL-UHFFFAOYSA-N
XLogP4.04
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.91
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide
CID 170641711
3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 166508312
2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155261940
5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 142528056
3-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-7-carboxamide
CID 137491666
2-butan-2-yl-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole;6-chloro-N-ethenylquinoline-2-carboxamide
CID 142528140
2-(4-chloro-3-fluorophenoxy)-N-[2-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 169019072
(2R,4R)-6-chloro-N-[1-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 162096646
6-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 167408978
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(2S,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one
CID 178127782
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7558904
1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1S,2S,4S,5R)-5-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanone
CID 159215263

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide (CID 137491556) is 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide is O=C(NCCC1(c2nnc(C3CC(OC(F)(F)F)C3)o2)CCC1)C(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide?
The InChIKey is NWAXWWUNCXWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3N3O4/c23-15-4-2-13(3-5-15)10-17(30)18(31)27-9-8-21(6-1-7-21)20-29-28-19(32-20)14-11-16(12-14)33-22(24,25)26/h2-5,14,16-17,30H,1,6-12H2,(H,27,31).
What are the key properties of 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide?
3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide has a molecular weight of 487.91 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide is sourced from PubChem (CID 137491556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).