4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol

C12H14N2O2 — CID 105472326

IUPAC4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
SMILESCC(C)c1oc(N)nc1-c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c1-7(2)11-10(14-12(13)16-11)8-3-5-9(15)6-4-8/h3-7,15H,1-2H3,(H2,13,14)
InChIKeyACTLLSGQGLICCT-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.75
Rot. Bonds2

About 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol

4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol (PubChem CID 105472326) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
PubChem CID105472326
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
SMILESCC(C)c1oc(N)nc1-c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c1-7(2)11-10(14-12(13)16-11)8-3-5-9(15)6-4-8/h3-7,15H,1-2H3,(H2,13,14)
InChIKeyACTLLSGQGLICCT-UHFFFAOYSA-N
XLogP2.75
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol?
The IUPAC name of 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol (CID 105472326) is 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol is CC(C)c1oc(N)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol?
The InChIKey is ACTLLSGQGLICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(2)11-10(14-12(13)16-11)8-3-5-9(15)6-4-8/h3-7,15H,1-2H3,(H2,13,14).
What are the key properties of 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol?
4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol has a molecular weight of 218.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 105472326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).