2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine

C13H13F3N2O — CID 81196528

IUPAC2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)7-4-5-11-10(6-7)18-12(19-11)8-2-1-3-9(8)17/h4-6,8-9H,1-3,17H2
InChIKeyNVMGJGULIZEQJC-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.44
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine

2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine (PubChem CID 81196528) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine
PubChem CID81196528
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)7-4-5-11-10(6-7)18-12(19-11)8-2-1-3-9(8)17/h4-6,8-9H,1-3,17H2
InChIKeyNVMGJGULIZEQJC-UHFFFAOYSA-N
XLogP3.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine (CID 81196528) is 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine is NC1CCCC1c1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine?
The InChIKey is NVMGJGULIZEQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)7-4-5-11-10(6-7)18-12(19-11)8-2-1-3-9(8)17/h4-6,8-9H,1-3,17H2.
What are the key properties of 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine?
2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine has a molecular weight of 270.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 81196528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).