5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole

C11H13NO2 — CID 69091741

IUPAC5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(COCc2ccccc2)C1
InChIInChI=1S/C11H13NO2/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-14-11/h1-5,7,11H,6,8-9H2
InChIKeyGCKKCLXZJGPADE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.98
Rot. Bonds4

About 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole

5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 69091741) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
PubChem CID69091741
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(COCc2ccccc2)C1
InChIInChI=1S/C11H13NO2/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-14-11/h1-5,7,11H,6,8-9H2
InChIKeyGCKKCLXZJGPADE-UHFFFAOYSA-N
XLogP1.98
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole (CID 69091741) is 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole is C1=NOC(COCc2ccccc2)C1.
What is the InChIKey of 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is GCKKCLXZJGPADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-14-11/h1-5,7,11H,6,8-9H2.
What are the key properties of 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 69091741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).