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

C21H22N4O3S — CID 4222184

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H22N4O3S/c26-19(22-17-6-8-18(9-7-17)25-10-12-27-13-11-25)15-29-21-24-23-20(28-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,26)
InChIKeyDPVGIHWSKGTBHB-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.23
Rot. Bonds7

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4222184) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4222184
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H22N4O3S/c26-19(22-17-6-8-18(9-7-17)25-10-12-27-13-11-25)15-29-21-24-23-20(28-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,26)
InChIKeyDPVGIHWSKGTBHB-UHFFFAOYSA-N
XLogP3.23
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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-Ethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 1090936
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1259963
2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 2549659
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide
CID 375293
2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 1090937
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(o-tolyl)acetamide
CID 375283
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(p-tolyl)acetamide
CID 375285

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 4222184) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DPVGIHWSKGTBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c26-19(22-17-6-8-18(9-7-17)25-10-12-27-13-11-25)15-29-21-24-23-20(28-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,26).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4222184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).