N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide

C14H11N3O3S — CID 7254732

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H11N3O3S/c18-12(9-21-10-5-2-1-3-6-10)15-14-17-16-13(20-14)11-7-4-8-19-11/h1-8H,9H2,(H,15,17,18)
InChIKeyQKSQPEILQLOIHX-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.06
Rot. Bonds5

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide (PubChem CID 7254732) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
PubChem CID7254732
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H11N3O3S/c18-12(9-21-10-5-2-1-3-6-10)15-14-17-16-13(20-14)11-7-4-8-19-11/h1-8H,9H2,(H,15,17,18)
InChIKeyQKSQPEILQLOIHX-UHFFFAOYSA-N
XLogP3.06
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide (CID 7254732) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is QKSQPEILQLOIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-12(9-21-10-5-2-1-3-6-10)15-14-17-16-13(20-14)11-7-4-8-19-11/h1-8H,9H2,(H,15,17,18).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 301.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 7254732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).