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

C14H17N3O — CID 106323133

IUPACcis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2noc([C@@H]3CC[C@H](N)C3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-9-2-4-10(5-3-9)13-16-14(18-17-13)11-6-7-12(15)8-11/h2-5,11-12H,6-8,15H2,1H3/t11-,12+/m1/s1
InChIKeyWKNJLKOMGQHDDR-NEPJUHHUSA-N
MW243.31 g/mol
LogP2.64
Rot. Bonds2

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

cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 106323133) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID106323133
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Namecis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2noc([C@@H]3CC[C@H](N)C3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-9-2-4-10(5-3-9)13-16-14(18-17-13)11-6-7-12(15)8-11/h2-5,11-12H,6-8,15H2,1H3/t11-,12+/m1/s1
InChIKeyWKNJLKOMGQHDDR-NEPJUHHUSA-N
XLogP2.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 106323133) is cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is Cc1ccc(-c2noc([C@@H]3CC[C@H](N)C3)n2)cc1.
What is the InChIKey of cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is WKNJLKOMGQHDDR-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-2-4-10(5-3-9)13-16-14(18-17-13)11-6-7-12(15)8-11/h2-5,11-12H,6-8,15H2,1H3/t11-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 106323133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).