cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine

C17H23N3O — CID 138056208

IUPACcis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine
SMILESCCc1nnc(C(C)N[C@@H]2CCC[C@@H]2c2ccccc2)o1
InChIInChI=1S/C17H23N3O/c1-3-16-19-20-17(21-16)12(2)18-15-11-7-10-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14-15,18H,3,7,10-11H2,1-2H3/t12?,14-,15-/m1/s1
InChIKeyJQONQGZWOCILMU-JENMUQSASA-N
MW285.39 g/mol
LogP3.62
Rot. Bonds5

About cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine

cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine (PubChem CID 138056208) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine
PubChem CID138056208
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Namecis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine
SMILESCCc1nnc(C(C)N[C@@H]2CCC[C@@H]2c2ccccc2)o1
InChIInChI=1S/C17H23N3O/c1-3-16-19-20-17(21-16)12(2)18-15-11-7-10-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14-15,18H,3,7,10-11H2,1-2H3/t12?,14-,15-/m1/s1
InChIKeyJQONQGZWOCILMU-JENMUQSASA-N
XLogP3.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine (CID 138056208) is cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine is CCc1nnc(C(C)N[C@@H]2CCC[C@@H]2c2ccccc2)o1.
What is the InChIKey of cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine?
The InChIKey is JQONQGZWOCILMU-JENMUQSASA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-16-19-20-17(21-16)12(2)18-15-11-7-10-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14-15,18H,3,7,10-11H2,1-2H3/t12?,14-,15-/m1/s1.
What are the key properties of cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine?
cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine is sourced from PubChem (CID 138056208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).