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

C12H21N3O2 — CID 64571595

IUPAC1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine
SMILESCCCc1noc(COCC2(N)CCCC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-5-10-14-11(17-15-10)8-16-9-12(13)6-3-4-7-12/h2-9,13H2,1H3
InChIKeyRWTXVODEWQSEHV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.81
Rot. Bonds6

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

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine (PubChem CID 64571595) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine
PubChem CID64571595
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine
SMILESCCCc1noc(COCC2(N)CCCC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-5-10-14-11(17-15-10)8-16-9-12(13)6-3-4-7-12/h2-9,13H2,1H3
InChIKeyRWTXVODEWQSEHV-UHFFFAOYSA-N
XLogP1.81
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine (CID 64571595) is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine is CCCc1noc(COCC2(N)CCCC2)n1.
What is the InChIKey of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine?
The InChIKey is RWTXVODEWQSEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-5-10-14-11(17-15-10)8-16-9-12(13)6-3-4-7-12/h2-9,13H2,1H3.
What are the key properties of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine?
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64571595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).