2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol

C12H14N2O2 — CID 22284675

IUPAC2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1ncco1
InChIInChI=1S/C12H14N2O2/c13-10(8-9-4-2-1-3-5-9)11(15)12-14-6-7-16-12/h1-7,10-11,15H,8,13H2
InChIKeyAJAJVFYHDUZKSI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol

2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol (PubChem CID 22284675) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol
PubChem CID22284675
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1ncco1
InChIInChI=1S/C12H14N2O2/c13-10(8-9-4-2-1-3-5-9)11(15)12-14-6-7-16-12/h1-7,10-11,15H,8,13H2
InChIKeyAJAJVFYHDUZKSI-UHFFFAOYSA-N
XLogP1.28
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 70041725
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CID 166554301
(S)-1,3-oxazol-2-yl(phenyl)methanamine
CID 96656176
1-(1,3-oxazol-2-yl)-2-pyridin-4-ylethanamine
CID 82404673
2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide
CID 146098695
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol
CID 79583614
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol (CID 22284675) is 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol is NC(Cc1ccccc1)C(O)c1ncco1.
What is the InChIKey of 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol?
The InChIKey is AJAJVFYHDUZKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-10(8-9-4-2-1-3-5-9)11(15)12-14-6-7-16-12/h1-7,10-11,15H,8,13H2.
What are the key properties of 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol?
2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 22284675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).