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

C16H15N3O3S — CID 650110

IUPACN-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1C
InChIInChI=1S/C16H15N3O3S/c1-10-5-3-6-12(11(10)2)17-14(20)9-23-16-19-18-15(22-16)13-7-4-8-21-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyBVTGHQFPJCTRND-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.68
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 650110) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID650110
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1C
InChIInChI=1S/C16H15N3O3S/c1-10-5-3-6-12(11(10)2)17-14(20)9-23-16-19-18-15(22-16)13-7-4-8-21-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyBVTGHQFPJCTRND-UHFFFAOYSA-N
XLogP3.68
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 650110) is N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BVTGHQFPJCTRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-5-3-6-12(11(10)2)17-14(20)9-23-16-19-18-15(22-16)13-7-4-8-21-13/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 650110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).