N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine

C15H25N3O3 — CID 116742319

IUPACN-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
SMILESCCOC1(c2noc(CNC3CCCC3)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-20-15(7-9-19-10-8-15)14-17-13(21-18-14)11-16-12-5-3-4-6-12/h12,16H,2-11H2,1H3
InChIKeyDDDRWFMQRBSOSP-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.14
Rot. Bonds6

About N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine

N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine (PubChem CID 116742319) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
PubChem CID116742319
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
SMILESCCOC1(c2noc(CNC3CCCC3)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-20-15(7-9-19-10-8-15)14-17-13(21-18-14)11-16-12-5-3-4-6-12/h12,16H,2-11H2,1H3
InChIKeyDDDRWFMQRBSOSP-UHFFFAOYSA-N
XLogP2.14
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116742254
4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742227
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 116742654
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 116742661
2-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 116744107
2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742001
2-[[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436752
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742284

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine (CID 116742319) is N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine is CCOC1(c2noc(CNC3CCCC3)n2)CCOCC1.
What is the InChIKey of N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is DDDRWFMQRBSOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-20-15(7-9-19-10-8-15)14-17-13(21-18-14)11-16-12-5-3-4-6-12/h12,16H,2-11H2,1H3.
What are the key properties of N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 295.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 116742319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).