2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C12H21N3O2 — CID 82762266

IUPAC2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOCCCc1noc(C2(C)CCCC2N)n1
InChIInChI=1S/C12H21N3O2/c1-12(7-3-5-9(12)13)11-14-10(15-17-11)6-4-8-16-2/h9H,3-8,13H2,1-2H3
InChIKeyDMAUZRQLTRIFTC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.42
Rot. Bonds5

About 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82762266) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82762266
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOCCCc1noc(C2(C)CCCC2N)n1
InChIInChI=1S/C12H21N3O2/c1-12(7-3-5-9(12)13)11-14-10(15-17-11)6-4-8-16-2/h9H,3-8,13H2,1-2H3
InChIKeyDMAUZRQLTRIFTC-UHFFFAOYSA-N
XLogP1.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.42
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

N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclopentanecarboxamide
CID 72019459
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 55202432
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350322
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350330
N-propyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350370
2-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 79953120
N-propyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 79964010
N-ethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 79964095
N-methyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 79964527
N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82007567
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82007646
2-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82007963

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82762266) is 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is COCCCc1noc(C2(C)CCCC2N)n1.
What is the InChIKey of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is DMAUZRQLTRIFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(7-3-5-9(12)13)11-14-10(15-17-11)6-4-8-16-2/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82762266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).