(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol

C13H17NO4 — CID 10800738

IUPAC(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@@H]1CC(COCc2ccccc2)=NO1
InChIInChI=1S/C13H17NO4/c15-7-12(16)13-6-11(14-18-13)9-17-8-10-4-2-1-3-5-10/h1-5,12-13,15-16H,6-9H2/t12-,13+/m1/s1
InChIKeyPUADUSUYEVRPQK-OLZOCXBDSA-N
MW251.28 g/mol
LogP0.70
Rot. Bonds6

About (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol

(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol (PubChem CID 10800738) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol
PubChem CID10800738
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@@H]1CC(COCc2ccccc2)=NO1
InChIInChI=1S/C13H17NO4/c15-7-12(16)13-6-11(14-18-13)9-17-8-10-4-2-1-3-5-10/h1-5,12-13,15-16H,6-9H2/t12-,13+/m1/s1
InChIKeyPUADUSUYEVRPQK-OLZOCXBDSA-N
XLogP0.70
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol with MolForge

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Related Compounds

(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 132581718
(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 10589665
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
(1S)-1-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]ethane-1,2-diol
CID 101486837
(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol
CID 135038520
CID 66734377
CID 66734377
benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
CID 22885970
CID 172760983
CID 172760983
[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol
CID 149442288
[2-(phenylmethoxymethyl)phenyl]methanol
CID 54193166
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol (CID 10800738) is (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol is OC[C@@H](O)[C@@H]1CC(COCc2ccccc2)=NO1.
What is the InChIKey of (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol?
The InChIKey is PUADUSUYEVRPQK-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H17NO4/c15-7-12(16)13-6-11(14-18-13)9-17-8-10-4-2-1-3-5-10/h1-5,12-13,15-16H,6-9H2/t12-,13+/m1/s1.
What are the key properties of (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol?
(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol has a molecular weight of 251.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 10800738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).