3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one

C19H18N2O4 — CID 102420776

IUPAC3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC/C(=C(\c1ccc([N+](=O)[O-])cc1)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-2-17(14-6-4-3-5-7-14)18(20-12-13-25-19(20)22)15-8-10-16(11-9-15)21(23)24/h3-11H,2,12-13H2,1H3/b18-17-
InChIKeyIJBPEFGNTJGCJY-ZCXUNETKSA-N
MW338.36 g/mol
LogP4.33
Rot. Bonds5

About 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one

3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 102420776) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one
PubChem CID102420776
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC/C(=C(\c1ccc([N+](=O)[O-])cc1)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-2-17(14-6-4-3-5-7-14)18(20-12-13-25-19(20)22)15-8-10-16(11-9-15)21(23)24/h3-11H,2,12-13H2,1H3/b18-17-
InChIKeyIJBPEFGNTJGCJY-ZCXUNETKSA-N
XLogP4.33
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one (CID 102420776) is 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one is CC/C(=C(\c1ccc([N+](=O)[O-])cc1)N1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is IJBPEFGNTJGCJY-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-17(14-6-4-3-5-7-14)18(20-12-13-25-19(20)22)15-8-10-16(11-9-15)21(23)24/h3-11H,2,12-13H2,1H3/b18-17-.
What are the key properties of 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one?
3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 338.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(4-nitrophenyl)-2-phenylbut-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102420776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).