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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Related Compounds

3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole
CID 91650075
N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 126803296
1-[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 103211735
1-[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 103211739
3-[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 113788762
1-[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851395
5-(Methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole
CID 129260275
2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 47149267
2-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 48520507
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 52571666
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
3-[5-(Oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 55048047

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).