1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine

C11H13FN2O2 — CID 63675448

IUPAC1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc2ccc(F)cc2o1
InChIInChI=1S/C11H13FN2O2/c1-15-5-4-8(13)11-14-9-3-2-7(12)6-10(9)16-11/h2-3,6,8H,4-5,13H2,1H3
InChIKeySCWQXIUIOLYGCU-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.00
Rot. Bonds4

About 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine

1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine (PubChem CID 63675448) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
PubChem CID63675448
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc2ccc(F)cc2o1
InChIInChI=1S/C11H13FN2O2/c1-15-5-4-8(13)11-14-9-3-2-7(12)6-10(9)16-11/h2-3,6,8H,4-5,13H2,1H3
InChIKeySCWQXIUIOLYGCU-UHFFFAOYSA-N
XLogP2.00
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
CID 63675606
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 63676371
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
CID 82720450
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-4-methoxybutan-1-amine
CID 82719839
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62479151
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032995
2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 81085051
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
CID 114918250
2-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 65222198
1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478079

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine (CID 63675448) is 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine is COCCC(N)c1nc2ccc(F)cc2o1.
What is the InChIKey of 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine?
The InChIKey is SCWQXIUIOLYGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-15-5-4-8(13)11-14-9-3-2-7(12)6-10(9)16-11/h2-3,6,8H,4-5,13H2,1H3.
What are the key properties of 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine?
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine has a molecular weight of 224.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 63675448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).