3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C15H14N2O4 — CID 143640419

IUPAC3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccccc1)c1ccon1)N1CCOC1=O
InChIInChI=1S/C15H14N2O4/c18-14(17-7-9-20-15(17)19)10-12(13-6-8-21-16-13)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2
InChIKeyFWYINKQVHPUUMH-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.18
Rot. Bonds4

About 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 143640419) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID143640419
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccccc1)c1ccon1)N1CCOC1=O
InChIInChI=1S/C15H14N2O4/c18-14(17-7-9-20-15(17)19)10-12(13-6-8-21-16-13)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2
InChIKeyFWYINKQVHPUUMH-UHFFFAOYSA-N
XLogP2.18
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 143640419) is 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one is O=C(CC(c1ccccc1)c1ccon1)N1CCOC1=O.
What is the InChIKey of 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FWYINKQVHPUUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(17-7-9-20-15(17)19)10-12(13-6-8-21-16-13)11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2.
What are the key properties of 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 286.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143640419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).