2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C19H26N4O2S — CID 49043891

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CSCc2noc(C)n2)N2CCCC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14-5-7-16(8-6-14)17(23-9-3-4-10-23)11-20-19(24)13-26-12-18-21-15(2)25-22-18/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyODESTCVTCUVDDQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.87
Rot. Bonds8

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 49043891) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID49043891
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CSCc2noc(C)n2)N2CCCC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14-5-7-16(8-6-14)17(23-9-3-4-10-23)11-20-19(24)13-26-12-18-21-15(2)25-22-18/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyODESTCVTCUVDDQ-UHFFFAOYSA-N
XLogP2.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110620748
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 110622231
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623840
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 46367603
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119866490
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 43956116
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 155944479
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 49043891) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(C(CNC(=O)CSCc2noc(C)n2)N2CCCC2)cc1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is ODESTCVTCUVDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-5-7-16(8-6-14)17(23-9-3-4-10-23)11-20-19(24)13-26-12-18-21-15(2)25-22-18/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 49043891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).