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

C15H25N3O3 — CID 116742329

IUPAC[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCCOC1(c2noc(C3CCCC3CN)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-20-15(6-8-19-9-7-15)14-17-13(21-18-14)12-5-3-4-11(12)10-16/h11-12H,2-10,16H2,1H3
InChIKeyQSHRXBUBCSLYAQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.95
Rot. Bonds5

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

[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 116742329) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID116742329
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCCOC1(c2noc(C3CCCC3CN)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-20-15(6-8-19-9-7-15)14-17-13(21-18-14)12-5-3-4-11(12)10-16/h11-12H,2-10,16H2,1H3
InChIKeyQSHRXBUBCSLYAQ-UHFFFAOYSA-N
XLogP1.95
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742134
[2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116743214
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780801
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084
3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781193
[5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116741356
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780291
1-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116742359
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106527661

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 116742329) is [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is CCOC1(c2noc(C3CCCC3CN)n2)CCOCC1.
What is the InChIKey of [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is QSHRXBUBCSLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-20-15(6-8-19-9-7-15)14-17-13(21-18-14)12-5-3-4-11(12)10-16/h11-12H,2-10,16H2,1H3.
What are the key properties of [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 295.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 116742329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).