(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one

C14H15NO3 — CID 11470609

IUPAC(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10H2/t12-/m0/s1
InChIKeyJZWKSHQOESFUPS-LBPRGKRZSA-N
MW245.28 g/mol
LogP2.67
Rot. Bonds4

About (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11470609) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11470609
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10H2/t12-/m0/s1
InChIKeyJZWKSHQOESFUPS-LBPRGKRZSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one (CID 11470609) is (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one is C=CCCC(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JZWKSHQOESFUPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10H2/t12-/m0/s1.
What are the key properties of (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11470609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).