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

C18H18FN3O3 — CID 145159457

IUPAC3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
SMILESFCc1ccc(-c2ncon2)cc1.O=C(NCCO)c1ccccc1
InChIInChI=1S/C9H7FN2O.C9H11NO2/c10-5-7-1-3-8(4-2-7)9-11-6-13-12-9;11-7-6-10-9(12)8-4-2-1-3-5-8/h1-4,6H,5H2;1-5,11H,6-7H2,(H,10,12)
InChIKeyDTONHVJAYZLBNB-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.61
Rot. Bonds5

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

3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide (PubChem CID 145159457) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
PubChem CID145159457
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
SMILESFCc1ccc(-c2ncon2)cc1.O=C(NCCO)c1ccccc1
InChIInChI=1S/C9H7FN2O.C9H11NO2/c10-5-7-1-3-8(4-2-7)9-11-6-13-12-9;11-7-6-10-9(12)8-4-2-1-3-5-8/h1-4,6H,5H2;1-5,11H,6-7H2,(H,10,12)
InChIKeyDTONHVJAYZLBNB-UHFFFAOYSA-N
XLogP2.61
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
CID 145159519
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-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159431
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159516
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 166370425
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 145159463

Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide (CID 145159457) is 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide is FCc1ccc(-c2ncon2)cc1.O=C(NCCO)c1ccccc1.
What is the InChIKey of 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide?
The InChIKey is DTONHVJAYZLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O.C9H11NO2/c10-5-7-1-3-8(4-2-7)9-11-6-13-12-9;11-7-6-10-9(12)8-4-2-1-3-5-8/h1-4,6H,5H2;1-5,11H,6-7H2,(H,10,12).
What are the key properties of 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide?
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide has a molecular weight of 343.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 145159457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).