4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole

C20H19F2N3O4 — CID 145159519

IUPAC4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
SMILESFC1(c2ccc(-c3ncon3)cc2)COC1.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2.C9H10FNO2/c12-11(5-15-6-11)9-3-1-8(2-4-9)10-13-7-16-14-10;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,7H,5-6H2;1-4,12H,5-6H2,(H,11,13)
InChIKeyADYKZEBCNHRLDH-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.48
Rot. Bonds5

About 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 145159519) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID145159519
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
SMILESFC1(c2ccc(-c3ncon3)cc2)COC1.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2.C9H10FNO2/c12-11(5-15-6-11)9-3-1-8(2-4-9)10-13-7-16-14-10;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,7H,5-6H2;1-4,12H,5-6H2,(H,11,13)
InChIKeyADYKZEBCNHRLDH-UHFFFAOYSA-N
XLogP2.48
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159431
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159516
3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide
CID 145159512
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 145159463
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393528
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole (CID 145159519) is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole is FC1(c2ccc(-c3ncon3)cc2)COC1.O=C(NCCO)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ADYKZEBCNHRLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2.C9H10FNO2/c12-11(5-15-6-11)9-3-1-8(2-4-9)10-13-7-16-14-10;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,7H,5-6H2;1-4,12H,5-6H2,(H,11,13).
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole?
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 403.39 g/mol, XLogP of 2.48, 5 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-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 145159519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).