cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine

C20H28N2O — CID 124741983

IUPACcis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine
SMILESCCc1cc(CCCN[C@@H]2CCC[C@H]2Cc2ccccc2)on1
InChIInChI=1S/C20H28N2O/c1-2-18-15-19(23-22-18)11-7-13-21-20-12-6-10-17(20)14-16-8-4-3-5-9-16/h3-5,8-9,15,17,20-21H,2,6-7,10-14H2,1H3/t17-,20+/m0/s1
InChIKeyXBMNZHBUKZOYRA-FXAWDEMLSA-N
MW312.46 g/mol
LogP4.17
Rot. Bonds8

About cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine

cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine (PubChem CID 124741983) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine
PubChem CID124741983
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Namecis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine
SMILESCCc1cc(CCCN[C@@H]2CCC[C@H]2Cc2ccccc2)on1
InChIInChI=1S/C20H28N2O/c1-2-18-15-19(23-22-18)11-7-13-21-20-12-6-10-17(20)14-16-8-4-3-5-9-16/h3-5,8-9,15,17,20-21H,2,6-7,10-14H2,1H3/t17-,20+/m0/s1
InChIKeyXBMNZHBUKZOYRA-FXAWDEMLSA-N
XLogP4.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine (CID 124741983) is cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine is CCc1cc(CCCN[C@@H]2CCC[C@H]2Cc2ccccc2)on1.
What is the InChIKey of cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine?
The InChIKey is XBMNZHBUKZOYRA-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-18-15-19(23-22-18)11-7-13-21-20-12-6-10-17(20)14-16-8-4-3-5-9-16/h3-5,8-9,15,17,20-21H,2,6-7,10-14H2,1H3/t17-,20+/m0/s1.
What are the key properties of cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine?
cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine has a molecular weight of 312.46 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine is sourced from PubChem (CID 124741983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).