2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide

C22H27N7O4S — CID 52910000

IUPAC2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccccc1-n1c(SCC(=O)Nc2nnc([C@H]3CCCO3)o2)nnc1N1CCCCC1
InChIInChI=1S/C22H27N7O4S/c1-31-16-9-4-3-8-15(16)29-21(28-11-5-2-6-12-28)26-27-22(29)34-14-18(30)23-20-25-24-19(33-20)17-10-7-13-32-17/h3-4,8-9,17H,2,5-7,10-14H2,1H3,(H,23,25,30)/t17-/m1/s1
InChIKeyFVDMBNCZEVVZMY-QGZVFWFLSA-N
MW485.57 g/mol
LogP3.23
Rot. Bonds8

About 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide

2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52910000) has the molecular formula C22H27N7O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52910000
Molecular FormulaC22H27N7O4S
Molecular Weight485.57 g/mol
Exact Mass485.18
IUPAC Name2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccccc1-n1c(SCC(=O)Nc2nnc([C@H]3CCCO3)o2)nnc1N1CCCCC1
InChIInChI=1S/C22H27N7O4S/c1-31-16-9-4-3-8-15(16)29-21(28-11-5-2-6-12-28)26-27-22(29)34-14-18(30)23-20-25-24-19(33-20)17-10-7-13-32-17/h3-4,8-9,17H,2,5-7,10-14H2,1H3,(H,23,25,30)/t17-/m1/s1
InChIKeyFVDMBNCZEVVZMY-QGZVFWFLSA-N
XLogP3.23
TPSA120.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27763015
N-(2-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27753272
4-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 39967379
1-[5-[(E)-3-chloroprop-2-enyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]piperidine
CID 24579760
2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 75657180
N-(2,6-dimethylphenyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43015367
2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide
CID 46826193
2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide
CID 42890949
3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 17432088
1-(difluoromethyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole
CID 24630130
2-[1-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 55833451
N-(2-methoxyphenyl)-2-[[5-methyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1162739

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide (CID 52910000) is 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide is COc1ccccc1-n1c(SCC(=O)Nc2nnc([C@H]3CCCO3)o2)nnc1N1CCCCC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is FVDMBNCZEVVZMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N7O4S/c1-31-16-9-4-3-8-15(16)29-21(28-11-5-2-6-12-28)26-27-22(29)34-14-18(30)23-20-25-24-19(33-20)17-10-7-13-32-17/h3-4,8-9,17H,2,5-7,10-14H2,1H3,(H,23,25,30)/t17-/m1/s1.
What are the key properties of 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 485.57 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52910000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).