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

C20H19FN4O3S — CID 2549659

IUPAC2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C20H19FN4O3S/c1-25(12-17(26)22-16-9-7-15(21)8-10-16)19(27)13-29-20-24-23-18(28-20)11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,26)
InChIKeyBNNIBIYWKXTERH-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.99
Rot. Bonds8

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

2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 2549659) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID2549659
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C20H19FN4O3S/c1-25(12-17(26)22-16-9-7-15(21)8-10-16)19(27)13-29-20-24-23-18(28-20)11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,26)
InChIKeyBNNIBIYWKXTERH-UHFFFAOYSA-N
XLogP2.99
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethylphenyl)acetamide hydrochloride
CID 6603221
2-ethyl-N-[3-fluoro-4-[4-[phenyl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenyl]butanamide
CID 68872605
2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 647610
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
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1259963
1-{[(5-Benzyl-1,3,4-oxadiazol-2-yl)thio]acetyl}indoline
CID 2155832
2-Fluoro-N-{[5-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}benzamide
CID 5143821
(S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,3-dimethylphenyl)acetamide hydrochloride
CID 9551759
(S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethylphenyl)acetamide hydrochloride
CID 9551789
5-[(4-fluorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017911
Recql5-IN-1
CID 163196444

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 2549659) is 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is BNNIBIYWKXTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-25(12-17(26)22-16-9-7-15(21)8-10-16)19(27)13-29-20-24-23-18(28-20)11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,26).
What are the key properties of 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 414.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2549659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).