4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine

C12H13FN2O — CID 117314027

IUPAC4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1cc(F)cc(-c2cnoc2N)c1
InChIInChI=1S/C12H13FN2O/c1-7(2)8-3-9(5-10(13)4-8)11-6-15-16-12(11)14/h3-7H,14H2,1-2H3
InChIKeyDRVVSTZOFXJLGI-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.19
Rot. Bonds2

About 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine

4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117314027) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117314027
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1cc(F)cc(-c2cnoc2N)c1
InChIInChI=1S/C12H13FN2O/c1-7(2)8-3-9(5-10(13)4-8)11-6-15-16-12(11)14/h3-7H,14H2,1-2H3
InChIKeyDRVVSTZOFXJLGI-UHFFFAOYSA-N
XLogP3.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314028
2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117424037
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117364560
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 117314027) is 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine is CC(C)c1cc(F)cc(-c2cnoc2N)c1.
What is the InChIKey of 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is DRVVSTZOFXJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7(2)8-3-9(5-10(13)4-8)11-6-15-16-12(11)14/h3-7H,14H2,1-2H3.
What are the key properties of 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 220.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117314027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).