N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide

C19H17N7O3S — CID 4965395

IUPACN-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C19H17N7O3S/c1-28-15-10-6-5-9-14(15)20-17(27)11-16-21-18(29-23-16)12-30-19-22-24-25-26(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,27)
InChIKeyRSQFPQQSWINNBG-UHFFFAOYSA-N
MW423.46 g/mol
LogP2.53
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide

N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 4965395) has the molecular formula C19H17N7O3S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID4965395
Molecular FormulaC19H17N7O3S
Molecular Weight423.46 g/mol
Exact Mass423.11
IUPAC NameN-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C19H17N7O3S/c1-28-15-10-6-5-9-14(15)20-17(27)11-16-21-18(29-23-16)12-30-19-22-24-25-26(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,27)
InChIKeyRSQFPQQSWINNBG-UHFFFAOYSA-N
XLogP2.53
TPSA120.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 17431109
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
2-[5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 2497203
2-[5-[[4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 4842918
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 43027762
N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
CID 20678328
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1455235
2-[5-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16586875
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 51924806
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 4965395) is N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is RSQFPQQSWINNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3S/c1-28-15-10-6-5-9-14(15)20-17(27)11-16-21-18(29-23-16)12-30-19-22-24-25-26(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,27).
What are the key properties of N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 423.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 4965395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).