2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide

C14H17N3O3S — CID 71781010

IUPAC2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOCCc1nnc(NC(=O)CSCc2ccccc2)o1
InChIInChI=1S/C14H17N3O3S/c1-19-8-7-13-16-17-14(20-13)15-12(18)10-21-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,17,18)
InChIKeyCQFWZNBWDSINHR-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.13
Rot. Bonds8

About 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 71781010) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID71781010
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOCCc1nnc(NC(=O)CSCc2ccccc2)o1
InChIInChI=1S/C14H17N3O3S/c1-19-8-7-13-16-17-14(20-13)15-12(18)10-21-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,17,18)
InChIKeyCQFWZNBWDSINHR-UHFFFAOYSA-N
XLogP2.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 71781010) is 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide is COCCc1nnc(NC(=O)CSCc2ccccc2)o1.
What is the InChIKey of 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is CQFWZNBWDSINHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-19-8-7-13-16-17-14(20-13)15-12(18)10-21-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,17,18).
What are the key properties of 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 71781010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).