(2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate

C18H19NO3 — CID 85304684

IUPAC(2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate
SMILESCC(=O)OC1CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H19NO3/c1-14(20)21-18-12-17(16-10-6-3-7-11-16)19(22-18)13-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3
InChIKeyQNLBGFNXKRGFHZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.45
Rot. Bonds4

About (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate

(2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate (PubChem CID 85304684) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate.

Molecular Properties

Compound Name(2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate
PubChem CID85304684
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate
SMILESCC(=O)OC1CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H19NO3/c1-14(20)21-18-12-17(16-10-6-3-7-11-16)19(22-18)13-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3
InChIKeyQNLBGFNXKRGFHZ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-Fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate
CID 11335620
5-Acetoxy-2,3-diphenylisoxazolidine
CID 5260089
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine
CID 11119127
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
2,3-Diphenyl-5-acetoxyisoxazolidene
CID 13027784
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
(3S,5S)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504493
(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504494
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate?
The IUPAC name of (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate (CID 85304684) is (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate.
What is the SMILES notation for (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate?
The canonical SMILES for (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate is CC(=O)OC1CC(c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate?
The InChIKey is QNLBGFNXKRGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(20)21-18-12-17(16-10-6-3-7-11-16)19(22-18)13-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3.
What are the key properties of (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate?
(2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate has a molecular weight of 297.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-phenyl-1,2-oxazolidin-5-yl) acetate is sourced from PubChem (CID 85304684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).