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

C19H26N2O2 — CID 92593850

IUPACcis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
SMILESCCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-22-17-9-7-15(8-10-17)13-20-19-6-4-5-16(19)12-18-11-14(2)21-23-18/h7-11,16,19-20H,3-6,12-13H2,1-2H3/t16-,19+/m0/s1
InChIKeyVJIINPIVWKKWOE-QFBILLFUSA-N
MW314.43 g/mol
LogP3.88
Rot. Bonds7

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

cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 92593850) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID92593850
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namecis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
SMILESCCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-22-17-9-7-15(8-10-17)13-20-19-6-4-5-16(19)12-18-11-14(2)21-23-18/h7-11,16,19-20H,3-6,12-13H2,1-2H3/t16-,19+/m0/s1
InChIKeyVJIINPIVWKKWOE-QFBILLFUSA-N
XLogP3.88
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 46967486
2-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 115717519
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
cis-(1R,2S)-N-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670659
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60880636
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine (CID 92593850) is cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine is CCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1.
What is the InChIKey of cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is VJIINPIVWKKWOE-QFBILLFUSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-22-17-9-7-15(8-10-17)13-20-19-6-4-5-16(19)12-18-11-14(2)21-23-18/h7-11,16,19-20H,3-6,12-13H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 314.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 92593850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).