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

C21H17N3O3S — CID 71800585

IUPACN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H17N3O3S/c1-28-18-11-5-3-8-15(18)21(25)22-16-9-4-2-7-14(16)13-19-23-20(24-27-19)17-10-6-12-26-17/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNAKVHDFVWMTNSB-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.89
Rot. Bonds6

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

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide (PubChem CID 71800585) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide
PubChem CID71800585
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H17N3O3S/c1-28-18-11-5-3-8-15(18)21(25)22-16-9-4-2-7-14(16)13-19-23-20(24-27-19)17-10-6-12-26-17/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNAKVHDFVWMTNSB-UHFFFAOYSA-N
XLogP4.89
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide (CID 71800585) is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide?
The InChIKey is NAKVHDFVWMTNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-28-18-11-5-3-8-15(18)21(25)22-16-9-4-2-7-14(16)13-19-23-20(24-27-19)17-10-6-12-26-17/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide?
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 71800585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).