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

C15H19N3O3S — CID 645909

IUPACN,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C15H19N3O3S/c1-4-18(5-2)13(19)10-22-15-17-16-14(21-15)11-7-6-8-12(9-11)20-3/h6-9H,4-5,10H2,1-3H3
InChIKeyRJGQEQSBRVFDOB-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.71
Rot. Bonds7

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

N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 645909) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID645909
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C15H19N3O3S/c1-4-18(5-2)13(19)10-22-15-17-16-14(21-15)11-7-6-8-12(9-11)20-3/h6-9H,4-5,10H2,1-3H3
InChIKeyRJGQEQSBRVFDOB-UHFFFAOYSA-N
XLogP2.71
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
CID 859852
2-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 865334
2-(2-phenoxyethylsulfanylmethyl)-5-[4-[(E)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 9823530
N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(phenylmethyl)acetamide
CID 647616
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 651410
2-[5-(3,5-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(3-methoxy-phenyl)-ethanone
CID 652632
N,N-Diisopropyl-2-[5-(3-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 655453
2-[5-(3,5-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 655550
2-((5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(piperidin-1-yl)ethanone
CID 861530
1-({[5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-4-methylpiperidine
CID 866852
4-({[5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)morpholine
CID 866855

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 645909) is N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)o1.
What is the InChIKey of N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is RJGQEQSBRVFDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-18(5-2)13(19)10-22-15-17-16-14(21-15)11-7-6-8-12(9-11)20-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 645909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).