1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol

C12H14N2O2 — CID 115112167

IUPAC1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(-c2cnoc2N)c1
InChIInChI=1S/C12H14N2O2/c1-8(15)5-9-3-2-4-10(6-9)11-7-14-16-12(11)13/h2-4,6-8,15H,5,13H2,1H3
InChIKeyICDLKNAWINWPJY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.85
Rot. Bonds3

About 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol

1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol (PubChem CID 115112167) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol
PubChem CID115112167
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(-c2cnoc2N)c1
InChIInChI=1S/C12H14N2O2/c1-8(15)5-9-3-2-4-10(6-9)11-7-14-16-12(11)13/h2-4,6-8,15H,5,13H2,1H3
InChIKeyICDLKNAWINWPJY-UHFFFAOYSA-N
XLogP1.85
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylphenyl)-1,2-oxazol-5-amine
CID 117281180
4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine
CID 115112170
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
4-(3-cyclopentylphenyl)-1,2-oxazol-5-amine
CID 117329061
1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol
CID 117313958
4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314027

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol (CID 115112167) is 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol is CC(O)Cc1cccc(-c2cnoc2N)c1.
What is the InChIKey of 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol?
The InChIKey is ICDLKNAWINWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)5-9-3-2-4-10(6-9)11-7-14-16-12(11)13/h2-4,6-8,15H,5,13H2,1H3.
What are the key properties of 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol?
1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol has a molecular weight of 218.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol is sourced from PubChem (CID 115112167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).