(4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

C19H16N2O5 — CID 90954923

IUPAC(4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H16N2O5/c22-18(11-8-14-6-9-16(10-7-14)21(24)25)20-17(13-26-19(20)23)12-15-4-2-1-3-5-15/h1-11,17H,12-13H2/t17-/m1/s1
InChIKeyFYOOYMYGOJGZTQ-QGZVFWFLSA-N
MW352.35 g/mol
LogP3.20
Rot. Bonds5

About (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 90954923) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID90954923
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H16N2O5/c22-18(11-8-14-6-9-16(10-7-14)21(24)25)20-17(13-26-19(20)23)12-15-4-2-1-3-5-15/h1-11,17H,12-13H2/t17-/m1/s1
InChIKeyFYOOYMYGOJGZTQ-QGZVFWFLSA-N
XLogP3.20
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 90954923) is (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is FYOOYMYGOJGZTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-18(11-8-14-6-9-16(10-7-14)21(24)25)20-17(13-26-19(20)23)12-15-4-2-1-3-5-15/h1-11,17H,12-13H2/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 352.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90954923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).