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

C16H21N3O2 — CID 106323631

IUPACcis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCOC(c1ccccc1)c1noc([C@@H]2CC[C@H](N)C2)n1
InChIInChI=1S/C16H21N3O2/c1-2-20-14(11-6-4-3-5-7-11)15-18-16(21-19-15)12-8-9-13(17)10-12/h3-7,12-14H,2,8-10,17H2,1H3/t12-,13+,14?/m1/s1
InChIKeyOMYSODPHFNGVAI-AMIUJLCOSA-N
MW287.36 g/mol
LogP2.79
Rot. Bonds5

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

cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 106323631) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID106323631
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namecis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCOC(c1ccccc1)c1noc([C@@H]2CC[C@H](N)C2)n1
InChIInChI=1S/C16H21N3O2/c1-2-20-14(11-6-4-3-5-7-11)15-18-16(21-19-15)12-8-9-13(17)10-12/h3-7,12-14H,2,8-10,17H2,1H3/t12-,13+,14?/m1/s1
InChIKeyOMYSODPHFNGVAI-AMIUJLCOSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 116780574
cis-(1S,3R)-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323384
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 116743869
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106814652
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-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 106323631) is cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CCOC(c1ccccc1)c1noc([C@@H]2CC[C@H](N)C2)n1.
What is the InChIKey of cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is OMYSODPHFNGVAI-AMIUJLCOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-20-14(11-6-4-3-5-7-11)15-18-16(21-19-15)12-8-9-13(17)10-12/h3-7,12-14H,2,8-10,17H2,1H3/t12-,13+,14?/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.79, 5 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-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 106323631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).