(5-fluoro-1,2-benzoxazol-6-yl)methanamine

C8H7FN2O — CID 117109985

IUPAC(5-fluoro-1,2-benzoxazol-6-yl)methanamine
SMILESNCc1cc2oncc2cc1F
InChIInChI=1S/C8H7FN2O/c9-7-1-6-4-11-12-8(6)2-5(7)3-10/h1-2,4H,3,10H2
InChIKeyJEZBNIMRXRIMNZ-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.43
Rot. Bonds1

About (5-fluoro-1,2-benzoxazol-6-yl)methanamine

(5-fluoro-1,2-benzoxazol-6-yl)methanamine (PubChem CID 117109985) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is (5-fluoro-1,2-benzoxazol-6-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1,2-benzoxazol-6-yl)methanamine
PubChem CID117109985
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name(5-fluoro-1,2-benzoxazol-6-yl)methanamine
SMILESNCc1cc2oncc2cc1F
InChIInChI=1S/C8H7FN2O/c9-7-1-6-4-11-12-8(6)2-5(7)3-10/h1-2,4H,3,10H2
InChIKeyJEZBNIMRXRIMNZ-UHFFFAOYSA-N
XLogP1.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1,2-benzoxazol-6-amine
CID 117110014
5,6-dimethyl-1,2-benzoxazole
CID 59539331
2-(1,2-benzoxazol-6-yloxy)ethanamine
CID 84656369
(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride
CID 118607014
2-(1,2-benzoxazol-6-yl)propan-1-amine
CID 82599064
[5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine
CID 112709102
6-amino-1,2-benzoxazole-5-carbaldehyde
CID 117109921
[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine
CID 165392256
N,N-diethyl-1,2-benzoxazol-6-amine
CID 10821519
6-(difluoromethyl)-1,2-benzoxazole
CID 84653295
[1,2]oxazolo[4,5-d][1,2]oxazole
CID 118210659
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
CID 149051203

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1,2-benzoxazol-6-yl)methanamine?
The IUPAC name of (5-fluoro-1,2-benzoxazol-6-yl)methanamine (CID 117109985) is (5-fluoro-1,2-benzoxazol-6-yl)methanamine.
What is the SMILES notation for (5-fluoro-1,2-benzoxazol-6-yl)methanamine?
The canonical SMILES for (5-fluoro-1,2-benzoxazol-6-yl)methanamine is NCc1cc2oncc2cc1F.
What is the InChIKey of (5-fluoro-1,2-benzoxazol-6-yl)methanamine?
The InChIKey is JEZBNIMRXRIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-7-1-6-4-11-12-8(6)2-5(7)3-10/h1-2,4H,3,10H2.
What are the key properties of (5-fluoro-1,2-benzoxazol-6-yl)methanamine?
(5-fluoro-1,2-benzoxazol-6-yl)methanamine has a molecular weight of 166.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1,2-benzoxazol-6-yl)methanamine is sourced from PubChem (CID 117109985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).