(4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one

C19H21NO3 — CID 135066367

IUPAC(4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one
SMILESC=C=C(C/C=C/COCC=C)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-13-22-14-9-8-12-17(4-2)20-18(15-23-19(20)21)16-10-6-5-7-11-16/h3,5-11,18H,1-2,12-15H2/b9-8+/t18-/m0/s1
InChIKeyFMFXSTVGBFXBEV-BLGFXRMMSA-N
MW311.38 g/mol
LogP4.00
Rot. Bonds8

About (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one

(4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one (PubChem CID 135066367) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one
PubChem CID135066367
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one
SMILESC=C=C(C/C=C/COCC=C)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-13-22-14-9-8-12-17(4-2)20-18(15-23-19(20)21)16-10-6-5-7-11-16/h3,5-11,18H,1-2,12-15H2/b9-8+/t18-/m0/s1
InChIKeyFMFXSTVGBFXBEV-BLGFXRMMSA-N
XLogP4.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one (CID 135066367) is (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one is C=C=C(C/C=C/COCC=C)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is FMFXSTVGBFXBEV-BLGFXRMMSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-13-22-14-9-8-12-17(4-2)20-18(15-23-19(20)21)16-10-6-5-7-11-16/h3,5-11,18H,1-2,12-15H2/b9-8+/t18-/m0/s1.
What are the key properties of (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
(4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-[(5E)-7-prop-2-enoxyhepta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135066367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).