cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine

C21H28N2O2 — CID 92554085

IUPACcis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
SMILESCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)CCC2
InChIInChI=1S/C21H28N2O2/c1-14-9-19(25-23-14)11-17-7-4-8-20(17)22-13-18-10-15-5-3-6-16(15)12-21(18)24-2/h9-10,12,17,20,22H,3-8,11,13H2,1-2H3/t17-,20+/m0/s1
InChIKeyODAPKRSRHVGXGY-FXAWDEMLSA-N
MW340.47 g/mol
LogP3.98
Rot. Bonds6

About cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine

cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 92554085) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID92554085
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Namecis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
SMILESCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)CCC2
InChIInChI=1S/C21H28N2O2/c1-14-9-19(25-23-14)11-17-7-4-8-20(17)22-13-18-10-15-5-3-6-16(15)12-21(18)24-2/h9-10,12,17,20,22H,3-8,11,13H2,1-2H3/t17-,20+/m0/s1
InChIKeyODAPKRSRHVGXGY-FXAWDEMLSA-N
XLogP3.98
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine (CID 92554085) is cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine is COc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)CCC2.
What is the InChIKey of cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is ODAPKRSRHVGXGY-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14-9-19(25-23-14)11-17-7-4-8-20(17)22-13-18-10-15-5-3-6-16(15)12-21(18)24-2/h9-10,12,17,20,22H,3-8,11,13H2,1-2H3/t17-,20+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 340.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 92554085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).