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

C17H20Cl2N2O — CID 46967486

IUPACcis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C17H20Cl2N2O/c1-11-7-14(22-21-11)9-13-3-2-4-17(13)20-10-12-5-6-15(18)16(19)8-12/h5-8,13,17,20H,2-4,9-10H2,1H3/t13-,17+/m0/s1
InChIKeyVBMOVJUSAAYPEK-SUMWQHHRSA-N
MW339.27 g/mol
LogP4.79
Rot. Bonds5

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

cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 46967486) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID46967486
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Namecis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C17H20Cl2N2O/c1-11-7-14(22-21-11)9-13-3-2-4-17(13)20-10-12-5-6-15(18)16(19)8-12/h5-8,13,17,20H,2-4,9-10H2,1H3/t13-,17+/m0/s1
InChIKeyVBMOVJUSAAYPEK-SUMWQHHRSA-N
XLogP4.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine (CID 46967486) is cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine is Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is VBMOVJUSAAYPEK-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-11-7-14(22-21-11)9-13-3-2-4-17(13)20-10-12-5-6-15(18)16(19)8-12/h5-8,13,17,20H,2-4,9-10H2,1H3/t13-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine?
cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 339.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 46967486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).