4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

C17H14F4N4O3 — CID 145159463

IUPAC4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2ncon2)nc1.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2.C8H4F3N3O/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;9-8(10,11)5-1-2-6(12-3-5)7-13-4-15-14-7/h1-4,12H,5-6H2,(H,11,13);1-4H
InChIKeyGSPMEJJVUJYZKH-UHFFFAOYSA-N
MW398.32 g/mol
LogP2.70
Rot. Bonds4

About 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 145159463) has the molecular formula C17H14F4N4O3 and a molecular weight of 398.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID145159463
Molecular FormulaC17H14F4N4O3
Molecular Weight398.32 g/mol
Exact Mass398.10
IUPAC Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2ncon2)nc1.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2.C8H4F3N3O/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;9-8(10,11)5-1-2-6(12-3-5)7-13-4-15-14-7/h1-4,12H,5-6H2,(H,11,13);1-4H
InChIKeyGSPMEJJVUJYZKH-UHFFFAOYSA-N
XLogP2.70
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159516
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159431
3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide
CID 145159512
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
CID 145159519
4-fluoro-N-[(1S)-2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 122581714
3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 123747888
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide
CID 151632783

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 145159463) is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2ncon2)nc1.O=C(NCCO)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is GSPMEJJVUJYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2.C8H4F3N3O/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;9-8(10,11)5-1-2-6(12-3-5)7-13-4-15-14-7/h1-4,12H,5-6H2,(H,11,13);1-4H.
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 398.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 145159463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).