(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one

C22H22FNO3 — CID 68854639

IUPAC(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one
SMILESC=CC(F)C(Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H22FNO3/c1-2-20(23)19(14-17-11-7-4-8-12-17)21(25)24-18(15-27-22(24)26)13-16-9-5-3-6-10-16/h2-12,18-20H,1,13-15H2/t18-,19?,20?/m1/s1
InChIKeyBELQGCDNOAMRFQ-XEVCZEQESA-N
MW367.42 g/mol
LogP3.96
Rot. Bonds7

About (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one (PubChem CID 68854639) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one
PubChem CID68854639
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one
SMILESC=CC(F)C(Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H22FNO3/c1-2-20(23)19(14-17-11-7-4-8-12-17)21(25)24-18(15-27-22(24)26)13-16-9-5-3-6-10-16/h2-12,18-20H,1,13-15H2/t18-,19?,20?/m1/s1
InChIKeyBELQGCDNOAMRFQ-XEVCZEQESA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.96
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)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one (CID 68854639) is (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one is C=CC(F)C(Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is BELQGCDNOAMRFQ-XEVCZEQESA-N. The full InChI is InChI=1S/C22H22FNO3/c1-2-20(23)19(14-17-11-7-4-8-12-17)21(25)24-18(15-27-22(24)26)13-16-9-5-3-6-10-16/h2-12,18-20H,1,13-15H2/t18-,19?,20?/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 367.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68854639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).