(2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol

C12H14N2O2 — CID 171604295

IUPAC(2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol
SMILESCc1ncoc1-c1ccc([C@@H](N)CO)cc1
InChIInChI=1S/C12H14N2O2/c1-8-12(16-7-14-8)10-4-2-9(3-5-10)11(13)6-15/h2-5,7,11,15H,6,13H2,1H3/t11-/m0/s1
InChIKeyGAFGPEYXXVLZCK-NSHDSACASA-N
MW218.26 g/mol
LogP1.64
Rot. Bonds3

About (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol

(2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol (PubChem CID 171604295) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol
PubChem CID171604295
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol
SMILESCc1ncoc1-c1ccc([C@@H](N)CO)cc1
InChIInChI=1S/C12H14N2O2/c1-8-12(16-7-14-8)10-4-2-9(3-5-10)11(13)6-15/h2-5,7,11,15H,6,13H2,1H3/t11-/m0/s1
InChIKeyGAFGPEYXXVLZCK-NSHDSACASA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol (CID 171604295) is (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol is Cc1ncoc1-c1ccc([C@@H](N)CO)cc1.
What is the InChIKey of (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol?
The InChIKey is GAFGPEYXXVLZCK-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-12(16-7-14-8)10-4-2-9(3-5-10)11(13)6-15/h2-5,7,11,15H,6,13H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol?
(2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol is sourced from PubChem (CID 171604295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).