4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C21H15F4N3O3 — CID 148796937

IUPAC4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(N[C@@H](CO)c1nc(C2=CCc3ccc(C(F)(F)F)cc32)no1)c1ccc(F)cc1
InChIInChI=1S/C21H15F4N3O3/c22-14-6-2-12(3-7-14)19(30)26-17(10-29)20-27-18(28-31-20)15-8-4-11-1-5-13(9-16(11)15)21(23,24)25/h1-3,5-9,17,29H,4,10H2,(H,26,30)/t17-/m0/s1
InChIKeyONGQQRWOLDINPC-KRWDZBQOSA-N
MW433.36 g/mol
LogP3.68
Rot. Bonds5

About 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 148796937) has the molecular formula C21H15F4N3O3 and a molecular weight of 433.36 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID148796937
Molecular FormulaC21H15F4N3O3
Molecular Weight433.36 g/mol
Exact Mass433.10
IUPAC Name4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(N[C@@H](CO)c1nc(C2=CCc3ccc(C(F)(F)F)cc32)no1)c1ccc(F)cc1
InChIInChI=1S/C21H15F4N3O3/c22-14-6-2-12(3-7-14)19(30)26-17(10-29)20-27-18(28-31-20)15-8-4-11-1-5-13(9-16(11)15)21(23,24)25/h1-3,5-9,17,29H,4,10H2,(H,26,30)/t17-/m0/s1
InChIKeyONGQQRWOLDINPC-KRWDZBQOSA-N
XLogP3.68
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(1S)-2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 122581714
4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 137313447
N-[(1S)-1-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-4-fluorobenzamide
CID 134228377
4-fluoro-N-[2-hydroxy-1-[3-(6-hydroxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 137313432
4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 134205371
4-fluoro-N-[2-hydroxy-1-[3-[3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205355
4-tert-butyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384523
4-tert-butyl-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384522
4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205430
4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 137026771
4-[5-[1-[(4-fluorobenzoyl)amino]-2-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-N-(3-methoxypropyl)benzamide
CID 134327180
5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide
CID 134327134

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 148796937) is 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(N[C@@H](CO)c1nc(C2=CCc3ccc(C(F)(F)F)cc32)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is ONGQQRWOLDINPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H15F4N3O3/c22-14-6-2-12(3-7-14)19(30)26-17(10-29)20-27-18(28-31-20)15-8-4-11-1-5-13(9-16(11)15)21(23,24)25/h1-3,5-9,17,29H,4,10H2,(H,26,30)/t17-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 433.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-2-hydroxy-1-[3-[6-(trifluoromethyl)-3H-inden-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 148796937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).