3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine

C12H13FN2O — CID 66032790

IUPAC3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc3cc(F)ccc3o2)C1
InChIInChI=1S/C12H13FN2O/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2
InChIKeyUYGYVXQEXBJKOE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.56
Rot. Bonds1

About 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine

3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine (PubChem CID 66032790) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
PubChem CID66032790
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc3cc(F)ccc3o2)C1
InChIInChI=1S/C12H13FN2O/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2
InChIKeyUYGYVXQEXBJKOE-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine (CID 66032790) is 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine is NC1CCC(c2nc3cc(F)ccc3o2)C1.
What is the InChIKey of 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The InChIKey is UYGYVXQEXBJKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2.
What are the key properties of 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine has a molecular weight of 220.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 66032790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).