1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C16H21N3O2 — CID 120857233

IUPAC1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(COCCc3ccccc3)n2)CCCC1
InChIInChI=1S/C16H21N3O2/c17-16(9-4-5-10-16)15-18-14(21-19-15)12-20-11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,17H2
InChIKeyRXQGEERAVFAFCP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.56
Rot. Bonds6

About 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120857233) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120857233
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(COCCc3ccccc3)n2)CCCC1
InChIInChI=1S/C16H21N3O2/c17-16(9-4-5-10-16)15-18-14(21-19-15)12-20-11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,17H2
InChIKeyRXQGEERAVFAFCP-UHFFFAOYSA-N
XLogP2.56
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-(prop-2-enoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857122
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857083
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857084
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 103211739
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120857233) is 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(COCCc3ccccc3)n2)CCCC1.
What is the InChIKey of 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is RXQGEERAVFAFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-16(9-4-5-10-16)15-18-14(21-19-15)12-20-11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,17H2.
What are the key properties of 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120857233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).