cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine

C26H33N3O2 — CID 92554121

IUPACcis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine
SMILESCOc1ccc(CN(Cc2ccncc2)[C@H]2CCC[C@@H]2Cc2cc(C)no2)c(C)c1C
InChIInChI=1S/C26H33N3O2/c1-18-14-24(31-28-18)15-22-6-5-7-25(22)29(16-21-10-12-27-13-11-21)17-23-8-9-26(30-4)20(3)19(23)2/h8-14,22,25H,5-7,15-17H2,1-4H3/t22-,25+/m1/s1
InChIKeyACAYUQQEWXSDTB-RDGATRHJSA-N
MW419.57 g/mol
LogP5.42
Rot. Bonds8

About cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine

cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine (PubChem CID 92554121) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine
PubChem CID92554121
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Namecis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine
SMILESCOc1ccc(CN(Cc2ccncc2)[C@H]2CCC[C@@H]2Cc2cc(C)no2)c(C)c1C
InChIInChI=1S/C26H33N3O2/c1-18-14-24(31-28-18)15-22-6-5-7-25(22)29(16-21-10-12-27-13-11-21)17-23-8-9-26(30-4)20(3)19(23)2/h8-14,22,25H,5-7,15-17H2,1-4H3/t22-,25+/m1/s1
InChIKeyACAYUQQEWXSDTB-RDGATRHJSA-N
XLogP5.42
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine (CID 92554121) is cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine is COc1ccc(CN(Cc2ccncc2)[C@H]2CCC[C@@H]2Cc2cc(C)no2)c(C)c1C.
What is the InChIKey of cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is ACAYUQQEWXSDTB-RDGATRHJSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18-14-24(31-28-18)15-22-6-5-7-25(22)29(16-21-10-12-27-13-11-21)17-23-8-9-26(30-4)20(3)19(23)2/h8-14,22,25H,5-7,15-17H2,1-4H3/t22-,25+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine?
cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 419.57 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 92554121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).