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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Related Compounds

cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323731
cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323743
5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
CID 114425040
3-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-1-yl]propanoic acid
CID 82167824
3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 66032788
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
[(2R,5R)-5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpiperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 78321968
2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
CID 43686399
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol
CID 117306724
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133314245
trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 164633039

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).