(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate

C18H19NO3 — CID 3660797

IUPAC(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
SMILESCN1OC(COC(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19-17(14-8-4-2-5-9-14)12-16(22-19)13-21-18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyUPPRNEICQQKLGC-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.22
Rot. Bonds4

About (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate

(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate (PubChem CID 3660797) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate.

Molecular Properties

Compound Name(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
PubChem CID3660797
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
SMILESCN1OC(COC(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19-17(14-8-4-2-5-9-14)12-16(22-19)13-21-18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyUPPRNEICQQKLGC-UHFFFAOYSA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate
CID 4678505
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
[(2R,4S,6S)-4-chloro-6-phenyloxan-2-yl]methyl benzoate
CID 102148599
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(1R,2S,4S,6R)-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]methyl benzoate
CID 11242511
[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101010370
[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]methyl benzoate
CID 131847754
[(1R)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 71314028
[(1R,2S,3S)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 92979836

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate?
The IUPAC name of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate (CID 3660797) is (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate.
What is the SMILES notation for (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate?
The canonical SMILES for (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate is CN1OC(COC(=O)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate?
The InChIKey is UPPRNEICQQKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19-17(14-8-4-2-5-9-14)12-16(22-19)13-21-18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3.
What are the key properties of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate?
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate is sourced from PubChem (CID 3660797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).