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

C13H15FN2O — CID 64793233

IUPAC1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc3cc(F)ccc3o2)CCCC1
InChIInChI=1S/C13H15FN2O/c14-9-3-4-11-10(7-9)16-12(17-11)8-13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2
InChIKeyLMSAVGWLNYZOOT-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.78
Rot. Bonds2

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

1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 64793233) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID64793233
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc3cc(F)ccc3o2)CCCC1
InChIInChI=1S/C13H15FN2O/c14-9-3-4-11-10(7-9)16-12(17-11)8-13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2
InChIKeyLMSAVGWLNYZOOT-UHFFFAOYSA-N
XLogP2.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine (CID 64793233) is 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine is NC1(Cc2nc3cc(F)ccc3o2)CCCC1.
What is the InChIKey of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is LMSAVGWLNYZOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-9-3-4-11-10(7-9)16-12(17-11)8-13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2.
What are the key properties of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 234.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64793233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).