4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one

C12H13NO3 — CID 57435374

IUPAC4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one
SMILESCC1(C)N=C(OCc2ccccc2)OC1=O
InChIInChI=1S/C12H13NO3/c1-12(2)10(14)16-11(13-12)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyWVRMZNQRQJLYHU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.89
Rot. Bonds2

About 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one

4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one (PubChem CID 57435374) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one
PubChem CID57435374
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one
SMILESCC1(C)N=C(OCc2ccccc2)OC1=O
InChIInChI=1S/C12H13NO3/c1-12(2)10(14)16-11(13-12)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyWVRMZNQRQJLYHU-UHFFFAOYSA-N
XLogP1.89
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one
CID 11404091
(4S)-4-benzyl-2,4-dimethyl-1,3-oxazol-5-one
CID 10013127
2,2-dimethyl-5-(5-methylsulfonyl-2-pyridinyl)-4-phenylmethoxyfuran-3-one
CID 141406059
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one
CID 11267934
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
5-[[3,5-bis(phenylmethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599819
CID 101083627
CID 101083627
benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one?
The IUPAC name of 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one (CID 57435374) is 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one is CC1(C)N=C(OCc2ccccc2)OC1=O.
What is the InChIKey of 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one?
The InChIKey is WVRMZNQRQJLYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-12(2)10(14)16-11(13-12)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one?
4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one has a molecular weight of 219.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one is sourced from PubChem (CID 57435374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).