4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C18H13ClF3N3O4 — CID 134205298

IUPAC4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NC(CO)c1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF3N3O4/c19-12-5-1-11(2-6-12)16(27)23-14(9-26)17-24-15(25-29-17)10-3-7-13(8-4-10)28-18(20,21)22/h1-8,14,26H,9H2,(H,23,27)
InChIKeyKJYCYDGBMZDDND-UHFFFAOYSA-N
MW427.77 g/mol
LogP3.75
Rot. Bonds6

About 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 134205298) has the molecular formula C18H13ClF3N3O4 and a molecular weight of 427.77 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID134205298
Molecular FormulaC18H13ClF3N3O4
Molecular Weight427.77 g/mol
Exact Mass427.05
IUPAC Name4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NC(CO)c1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF3N3O4/c19-12-5-1-11(2-6-12)16(27)23-14(9-26)17-24-15(25-29-17)10-3-7-13(8-4-10)28-18(20,21)22/h1-8,14,26H,9H2,(H,23,27)
InChIKeyKJYCYDGBMZDDND-UHFFFAOYSA-N
XLogP3.75
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(1S)-2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 122581882
N-[(1S)-1-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-4-fluorobenzamide
CID 134228377
(2S)-2-(methylamino)-2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 145159612
N-[(1S)-2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 167046726
5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide
CID 134327134
4-chloro-N-[(1S,2R)-1-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]benzamide
CID 134228218
4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 134205371
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
CID 51133659
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]-4-methylbenzamide
CID 51064975
N-[(1S)-1-[3-(4-acetylphenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581632
N-[(1S)-1-[3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581601
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 134205298) is 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(NC(CO)c1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is KJYCYDGBMZDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O4/c19-12-5-1-11(2-6-12)16(27)23-14(9-26)17-24-15(25-29-17)10-3-7-13(8-4-10)28-18(20,21)22/h1-8,14,26H,9H2,(H,23,27).
What are the key properties of 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 427.77 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 134205298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).