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

C21H25N3OS — CID 25370031

IUPACN-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1
InChIInChI=1S/C21H25N3OS/c1-16-7-9-17(10-8-16)21(11-3-4-12-21)20-22-19(25-23-20)15-24(2)14-18-6-5-13-26-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3
InChIKeyGPXYCFQNEZDPGQ-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.93
Rot. Bonds6

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

N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 25370031) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID25370031
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1
InChIInChI=1S/C21H25N3OS/c1-16-7-9-17(10-8-16)21(11-3-4-12-21)20-22-19(25-23-20)15-24(2)14-18-6-5-13-26-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3
InChIKeyGPXYCFQNEZDPGQ-UHFFFAOYSA-N
XLogP4.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-(2-thienylmethyl)methanamine
CID 16191033
N-methyl-N-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-thienyl)ethanamine
CID 16191290
5-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16190769
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)thiophene-2-carboxamide
CID 2231249
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 16187721
1-Methyl-2-phenyl-4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16191582
[4-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 17456192
(4-Tert-butylphenyl)-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 40145237
N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 45209226
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 45805706
3-Propyl-5-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45822578
N-(2-Methoxyethyl)-N-(phenylmethyl)-3-(3-thienyl)-1,2,4-oxadiazole-5-methanamine
CID 45850946

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine (CID 25370031) is N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine is Cc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1.
What is the InChIKey of N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is GPXYCFQNEZDPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-16-7-9-17(10-8-16)21(11-3-4-12-21)20-22-19(25-23-20)15-24(2)14-18-6-5-13-26-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 367.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 25370031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).