cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C12H19N3O2 — CID 114173552

IUPACcis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOC1(c2noc([C@@H]3CC[C@H](N)C3)n2)CCC1
InChIInChI=1S/C12H19N3O2/c1-16-12(5-2-6-12)11-14-10(17-15-11)8-3-4-9(13)7-8/h8-9H,2-7,13H2,1H3/t8-,9+/m1/s1
InChIKeyCSPVXBATOKIRMN-BDAKNGLRSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds3

About cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 114173552) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID114173552
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namecis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOC1(c2noc([C@@H]3CC[C@H](N)C3)n2)CCC1
InChIInChI=1S/C12H19N3O2/c1-16-12(5-2-6-12)11-14-10(17-15-11)8-3-4-9(13)7-8/h8-9H,2-7,13H2,1H3/t8-,9+/m1/s1
InChIKeyCSPVXBATOKIRMN-BDAKNGLRSA-N
XLogP1.69
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine with MolForge

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Related Compounds

3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742445
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
cis-(1S,3R)-3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323609
3-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742867
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552140
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 104612063
3-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031395
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 116781727
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 114173552) is cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is COC1(c2noc([C@@H]3CC[C@H](N)C3)n2)CCC1.
What is the InChIKey of cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is CSPVXBATOKIRMN-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-12(5-2-6-12)11-14-10(17-15-11)8-3-4-9(13)7-8/h8-9H,2-7,13H2,1H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 114173552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).