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

C18H23N3O2S — CID 122146653

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide
SMILESCc1ccc(SC2(CNC(=O)Cc3nnc(C)o3)CCCC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-5-7-15(8-6-13)24-18(9-3-4-10-18)12-19-16(22)11-17-21-20-14(2)23-17/h5-8H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyRCNSNIBYWNQBME-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.45
Rot. Bonds6

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide (PubChem CID 122146653) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide
PubChem CID122146653
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide
SMILESCc1ccc(SC2(CNC(=O)Cc3nnc(C)o3)CCCC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-5-7-15(8-6-13)24-18(9-3-4-10-18)12-19-16(22)11-17-21-20-14(2)23-17/h5-8H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyRCNSNIBYWNQBME-UHFFFAOYSA-N
XLogP3.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]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

2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
CID 120502289
2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
CID 119820132
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
CID 119820121
4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119820136
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820120
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
(3R,4S)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937195
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18165181
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide (CID 122146653) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide is Cc1ccc(SC2(CNC(=O)Cc3nnc(C)o3)CCCC2)cc1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide?
The InChIKey is RCNSNIBYWNQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-5-7-15(8-6-13)24-18(9-3-4-10-18)12-19-16(22)11-17-21-20-14(2)23-17/h5-8H,3-4,9-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide is sourced from PubChem (CID 122146653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).