5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine

C11H12FN3O — CID 115111733

IUPAC5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
SMILESCN(C)c1c(F)cccc1-c1cc(N)no1
InChIInChI=1S/C11H12FN3O/c1-15(2)11-7(4-3-5-8(11)12)9-6-10(13)14-16-9/h3-6H,1-2H3,(H2,13,14)
InChIKeyDOVDQXMLDULMFE-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.13
Rot. Bonds2

About 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine

5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine (PubChem CID 115111733) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
PubChem CID115111733
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
SMILESCN(C)c1c(F)cccc1-c1cc(N)no1
InChIInChI=1S/C11H12FN3O/c1-15(2)11-7(4-3-5-8(11)12)9-6-10(13)14-16-9/h3-6H,1-2H3,(H2,13,14)
InChIKeyDOVDQXMLDULMFE-UHFFFAOYSA-N
XLogP2.13
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
CID 115111734
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117321679
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117333114
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine (CID 115111733) is 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine is CN(C)c1c(F)cccc1-c1cc(N)no1.
What is the InChIKey of 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine?
The InChIKey is DOVDQXMLDULMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15(2)11-7(4-3-5-8(11)12)9-6-10(13)14-16-9/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine?
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine has a molecular weight of 221.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 115111733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).