cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine

C12H13ClN2O — CID 106323743

IUPACcis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C12H13ClN2O/c13-8-2-4-10-11(6-8)16-12(15-10)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2/t7-,9+/m1/s1
InChIKeyAYOQCXFUIYTOFD-APPZFPTMSA-N
MW236.70 g/mol
LogP3.08
Rot. Bonds1

About cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine (PubChem CID 106323743) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
PubChem CID106323743
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Namecis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C12H13ClN2O/c13-8-2-4-10-11(6-8)16-12(15-10)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2/t7-,9+/m1/s1
InChIKeyAYOQCXFUIYTOFD-APPZFPTMSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine (CID 106323743) is cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine is N[C@H]1CC[C@@H](c2nc3ccc(Cl)cc3o2)C1.
What is the InChIKey of cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The InChIKey is AYOQCXFUIYTOFD-APPZFPTMSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-8-2-4-10-11(6-8)16-12(15-10)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2/t7-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine has a molecular weight of 236.70 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 106323743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).