2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol

C12H14N2O2 — CID 103605063

IUPAC2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol
SMILESOC(CNCc1ccno1)c1ccccc1
InChIInChI=1S/C12H14N2O2/c15-12(10-4-2-1-3-5-10)9-13-8-11-6-7-14-16-11/h1-7,12-13,15H,8-9H2
InChIKeyJBPVMLSHLRGBJF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.50
Rot. Bonds5

About 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol

2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol (PubChem CID 103605063) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol
PubChem CID103605063
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol
SMILESOC(CNCc1ccno1)c1ccccc1
InChIInChI=1S/C12H14N2O2/c15-12(10-4-2-1-3-5-10)9-13-8-11-6-7-14-16-11/h1-7,12-13,15H,8-9H2
InChIKeyJBPVMLSHLRGBJF-UHFFFAOYSA-N
XLogP1.50
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 113223093
1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 106417399
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
CID 103792326
3,3,3-trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417397
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile
CID 106417937
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol (CID 103605063) is 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol is OC(CNCc1ccno1)c1ccccc1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol?
The InChIKey is JBPVMLSHLRGBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(10-4-2-1-3-5-10)9-13-8-11-6-7-14-16-11/h1-7,12-13,15H,8-9H2.
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol?
2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol has a molecular weight of 218.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol is sourced from PubChem (CID 103605063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).