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

C14H10ClN3O3S — CID 7254636

IUPAC2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)22-8-12(19)16-14-18-17-13(21-14)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyKGXGKRDYBPUQQF-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.71
Rot. Bonds5

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

2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 7254636) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID7254636
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)22-8-12(19)16-14-18-17-13(21-14)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyKGXGKRDYBPUQQF-UHFFFAOYSA-N
XLogP3.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 7254636) is 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is KGXGKRDYBPUQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)22-8-12(19)16-14-18-17-13(21-14)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 335.77 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 7254636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).