3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole

C13H18N4O2 — CID 167854915

IUPAC3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(Cc3cnc(C)[nH]3)n2)CCCC1
InChIInChI=1S/C13H18N4O2/c1-9-14-8-10(15-9)7-11-16-12(17-19-11)13(18-2)5-3-4-6-13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyYNSZPAOTJAGWHA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.11
Rot. Bonds4

About 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole

3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 167854915) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole
PubChem CID167854915
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(Cc3cnc(C)[nH]3)n2)CCCC1
InChIInChI=1S/C13H18N4O2/c1-9-14-8-10(15-9)7-11-16-12(17-19-11)13(18-2)5-3-4-6-13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyYNSZPAOTJAGWHA-UHFFFAOYSA-N
XLogP2.11
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
CID 104609581
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
1-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 104609689
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 116743145
N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104693275
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 116780703
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116781216

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole (CID 167854915) is 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole is COC1(c2noc(Cc3cnc(C)[nH]3)n2)CCCC1.
What is the InChIKey of 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YNSZPAOTJAGWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-14-8-10(15-9)7-11-16-12(17-19-11)13(18-2)5-3-4-6-13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole?
3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167854915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).