(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one

C20H19NO3 — CID 56602008

IUPAC(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
SMILESC=CC[C@@H](c1ccco1)[C@@]1(CC=C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H19NO3/c1-3-9-16(17-12-8-14-23-17)20(13-4-2)19(22)24-18(21-20)15-10-6-5-7-11-15/h3-8,10-12,14,16H,1-2,9,13H2/t16-,20+/m0/s1
InChIKeySFTXHOMEMJFGOX-OXJNMPFZSA-N
MW321.38 g/mol
LogP4.26
Rot. Bonds7

About (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one

(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one (PubChem CID 56602008) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
PubChem CID56602008
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
SMILESC=CC[C@@H](c1ccco1)[C@@]1(CC=C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H19NO3/c1-3-9-16(17-12-8-14-23-17)20(13-4-2)19(22)24-18(21-20)15-10-6-5-7-11-15/h3-8,10-12,14,16H,1-2,9,13H2/t16-,20+/m0/s1
InChIKeySFTXHOMEMJFGOX-OXJNMPFZSA-N
XLogP4.26
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one (CID 56602008) is (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one is C=CC[C@@H](c1ccco1)[C@@]1(CC=C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
The InChIKey is SFTXHOMEMJFGOX-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-9-16(17-12-8-14-23-17)20(13-4-2)19(22)24-18(21-20)15-10-6-5-7-11-15/h3-8,10-12,14,16H,1-2,9,13H2/t16-,20+/m0/s1.
What are the key properties of (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one has a molecular weight of 321.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one is sourced from PubChem (CID 56602008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).