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

C14H11N3O3S — CID 7266914

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C14H11N3O3S/c1-21-10-5-2-4-9(8-10)12(18)15-14-17-16-13(20-14)11-6-3-7-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyDXQBCFGNSOQQBK-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.30
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (PubChem CID 7266914) 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]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
PubChem CID7266914
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C14H11N3O3S/c1-21-10-5-2-4-9(8-10)12(18)15-14-17-16-13(20-14)11-6-3-7-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyDXQBCFGNSOQQBK-UHFFFAOYSA-N
XLogP3.30
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(6-methylsulfanyl-3-pyridinyl)benzamide
CID 70941244
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941308
3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 89120372
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941439
3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 177345157
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7295297
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylfuran-2-carboxamide
CID 90320525

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (CID 7266914) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nnc(-c3ccco3)o2)c1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is DXQBCFGNSOQQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-21-10-5-2-4-9(8-10)12(18)15-14-17-16-13(20-14)11-6-3-7-19-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 301.33 g/mol, XLogP of 3.30, 4 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]-3-methylsulfanylbenzamide is sourced from PubChem (CID 7266914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).