N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine

C17H23N3O — CID 107183233

IUPACN-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(C2CCCC2C)o1
InChIInChI=1S/C17H23N3O/c1-3-18-15(13-9-5-4-6-10-13)17-20-19-16(21-17)14-11-7-8-12(14)2/h4-6,9-10,12,14-15,18H,3,7-8,11H2,1-2H3
InChIKeyOPGXSSCCPCBQSQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.67
Rot. Bonds5

About N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine

N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (PubChem CID 107183233) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
PubChem CID107183233
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(C2CCCC2C)o1
InChIInChI=1S/C17H23N3O/c1-3-18-15(13-9-5-4-6-10-13)17-20-19-16(21-17)14-11-7-8-12(14)2/h4-6,9-10,12,14-15,18H,3,7-8,11H2,1-2H3
InChIKeyOPGXSSCCPCBQSQ-UHFFFAOYSA-N
XLogP3.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62907458
N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62213931
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]-1-phenylmethanamine
CID 81327117
2-[chloro(phenyl)methyl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 43164952
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 63079825
2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole
CID 107186575
N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 114822846
N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 106855933
N-[[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 79808204
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-benzhydrylethanamine;ethane
CID 142974710

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The IUPAC name of N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (CID 107183233) is N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The canonical SMILES for N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1nnc(C2CCCC2C)o1.
What is the InChIKey of N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The InChIKey is OPGXSSCCPCBQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-18-15(13-9-5-4-6-10-13)17-20-19-16(21-17)14-11-7-8-12(14)2/h4-6,9-10,12,14-15,18H,3,7-8,11H2,1-2H3.
What are the key properties of N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is sourced from PubChem (CID 107183233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).