N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H25N3O3S — CID 60569196

IUPACN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C1(CNC(=O)CCc2nc(-c3cccs3)no2)CCCC1
InChIInChI=1S/C22H25N3O3S/c1-27-17-8-3-2-7-16(17)22(12-4-5-13-22)15-23-19(26)10-11-20-24-21(25-28-20)18-9-6-14-29-18/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,23,26)
InChIKeyUXHZCABUATZVOY-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.37
Rot. Bonds8

About N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 60569196) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID60569196
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C1(CNC(=O)CCc2nc(-c3cccs3)no2)CCCC1
InChIInChI=1S/C22H25N3O3S/c1-27-17-8-3-2-7-16(17)22(12-4-5-13-22)15-23-19(26)10-11-20-24-21(25-28-20)18-9-6-14-29-18/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,23,26)
InChIKeyUXHZCABUATZVOY-UHFFFAOYSA-N
XLogP4.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenylcyclobutyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18139474
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120889609
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
N-[2-(ethylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119504800
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119495002
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138034178

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 60569196) is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccccc1C1(CNC(=O)CCc2nc(-c3cccs3)no2)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UXHZCABUATZVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-27-17-8-3-2-7-16(17)22(12-4-5-13-22)15-23-19(26)10-11-20-24-21(25-28-20)18-9-6-14-29-18/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,23,26).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 411.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 60569196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).