[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C14H23N3O3 — CID 116742134

IUPAC[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCOC1(c2noc(C3CCCC3CN)n2)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-18-14(5-7-19-8-6-14)13-16-12(20-17-13)11-4-2-3-10(11)9-15/h10-11H,2-9,15H2,1H3
InChIKeyWGROPPRRXZOUTO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.56
Rot. Bonds4

About [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 116742134) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID116742134
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCOC1(c2noc(C3CCCC3CN)n2)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-18-14(5-7-19-8-6-14)13-16-12(20-17-13)11-4-2-3-10(11)9-15/h10-11H,2-9,15H2,1H3
InChIKeyWGROPPRRXZOUTO-UHFFFAOYSA-N
XLogP1.56
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116743214
[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742329
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116781300
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116744092
3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 164637253
N-ethyl-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116733049
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
1-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116742003
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436
[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116701465
5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689978

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 116742134) is [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is COC1(c2noc(C3CCCC3CN)n2)CCOCC1.
What is the InChIKey of [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is WGROPPRRXZOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-18-14(5-7-19-8-6-14)13-16-12(20-17-13)11-4-2-3-10(11)9-15/h10-11H,2-9,15H2,1H3.
What are the key properties of [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 116742134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).