1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C13H13FN2O2 — CID 106417792

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESFc1ccc2c(c1)CC(CNCc1ccno1)O2
InChIInChI=1S/C13H13FN2O2/c14-10-1-2-13-9(5-10)6-12(17-13)8-15-7-11-3-4-16-18-11/h1-5,12,15H,6-8H2
InChIKeyJBNOYTOOUHNXEU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.91
Rot. Bonds4

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 106417792) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID106417792
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESFc1ccc2c(c1)CC(CNCc1ccno1)O2
InChIInChI=1S/C13H13FN2O2/c14-10-1-2-13-9(5-10)6-12(17-13)8-15-7-11-3-4-16-18-11/h1-5,12,15H,6-8H2
InChIKeyJBNOYTOOUHNXEU-UHFFFAOYSA-N
XLogP1.91
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 66364689
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106399125
N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106010977
N-[(2-chlorophenyl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66366030
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
CID 66362951
[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
CID 107230638
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66360708
2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361291

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 106417792) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine is Fc1ccc2c(c1)CC(CNCc1ccno1)O2.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is JBNOYTOOUHNXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-10-1-2-13-9(5-10)6-12(17-13)8-15-7-11-3-4-16-18-11/h1-5,12,15H,6-8H2.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 248.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 106417792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).