2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

C17H14FN3O2S — CID 1259963

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-7-4-8-14(10-13)19-15(22)11-24-17-21-20-16(23-17)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,22)
InChIKeyBCKGFDHTJLTHDR-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.53
Rot. Bonds6

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 1259963) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID1259963
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-7-4-8-14(10-13)19-15(22)11-24-17-21-20-16(23-17)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,22)
InChIKeyBCKGFDHTJLTHDR-UHFFFAOYSA-N
XLogP3.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide 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

(S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethylphenyl)acetamide hydrochloride
CID 6603221
2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 6462806
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 712681
2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 647610
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(2-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 835162
N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 891159
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 992163
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 992164
1-{[(5-Benzyl-1,3,4-oxadiazol-2-yl)thio]acetyl}indoline
CID 2155832
N-(4-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2595601
N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2614317

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 1259963) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(F)c1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is BCKGFDHTJLTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-13-7-4-8-14(10-13)19-15(22)11-24-17-21-20-16(23-17)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,22).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 1259963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).