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

C10H11FN2O — CID 63676578

IUPAC2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2ccc(F)cc2o1
InChIInChI=1S/C10H11FN2O/c1-10(2,12)9-13-7-4-3-6(11)5-8(7)14-9/h3-5H,12H2,1-2H3
InChIKeyGZOVIOHZVFZDHO-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.16
Rot. Bonds1

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

2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine (PubChem CID 63676578) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
PubChem CID63676578
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2ccc(F)cc2o1
InChIInChI=1S/C10H11FN2O/c1-10(2,12)9-13-7-4-3-6(11)5-8(7)14-9/h3-5H,12H2,1-2H3
InChIKeyGZOVIOHZVFZDHO-UHFFFAOYSA-N
XLogP2.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine
CID 79799236
2-tert-butyl-1,3-benzoxazol-6-amine
CID 39112039
2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine
CID 82414321
6-fluoro-N-propyl-1,3-benzoxazol-2-amine
CID 123750447
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
3-(6-fluoro-1,3-benzoxazol-2-yl)-2,2-dimethylpropanoic acid
CID 83870285
3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
CID 63675433
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
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
6-fluoro-1,3-benzoxazole-2-carbonitrile
CID 119083065
1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine
CID 62487138

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
The IUPAC name of 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine (CID 63676578) is 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine is CC(C)(N)c1nc2ccc(F)cc2o1.
What is the InChIKey of 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
The InChIKey is GZOVIOHZVFZDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-10(2,12)9-13-7-4-3-6(11)5-8(7)14-9/h3-5H,12H2,1-2H3.
What are the key properties of 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine has a molecular weight of 194.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine is sourced from PubChem (CID 63676578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).