4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole

C11H13NO2 — CID 152778467

IUPAC4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole
SMILESC1=NC(COCc2ccccc2)CO1
InChIInChI=1S/C11H13NO2/c1-2-4-10(5-3-1)6-13-7-11-8-14-9-12-11/h1-5,9,11H,6-8H2
InChIKeyJAWVIGQSVIIPLZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.63
Rot. Bonds4

About 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole

4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 152778467) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole
PubChem CID152778467
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole
SMILESC1=NC(COCc2ccccc2)CO1
InChIInChI=1S/C11H13NO2/c1-2-4-10(5-3-1)6-13-7-11-8-14-9-12-11/h1-5,9,11H,6-8H2
InChIKeyJAWVIGQSVIIPLZ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 100982245
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(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
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CID 12015177
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
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(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
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CID 85248081

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole (CID 152778467) is 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole is C1=NC(COCc2ccccc2)CO1.
What is the InChIKey of 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JAWVIGQSVIIPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-4-10(5-3-1)6-13-7-11-8-14-9-12-11/h1-5,9,11H,6-8H2.
What are the key properties of 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole?
4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 191.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 152778467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).