(4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

C19H16FNO3 — CID 10381663

IUPAC(4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cccc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H16FNO3/c20-16-8-4-7-15(11-16)9-10-18(22)21-17(13-24-19(21)23)12-14-5-2-1-3-6-14/h1-11,17H,12-13H2/b10-9+/t17-/m0/s1
InChIKeyJUYBARFTXAITKR-FVNWOWOISA-N
MW325.34 g/mol
LogP3.43
Rot. Bonds4

About (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10381663) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID10381663
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name(4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cccc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H16FNO3/c20-16-8-4-7-15(11-16)9-10-18(22)21-17(13-24-19(21)23)12-14-5-2-1-3-6-14/h1-11,17H,12-13H2/b10-9+/t17-/m0/s1
InChIKeyJUYBARFTXAITKR-FVNWOWOISA-N
XLogP3.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
Locostatin
CID 5702600
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
(4S)-4-Benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 10381663) is (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1cccc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is JUYBARFTXAITKR-FVNWOWOISA-N. The full InChI is InChI=1S/C19H16FNO3/c20-16-8-4-7-15(11-16)9-10-18(22)21-17(13-24-19(21)23)12-14-5-2-1-3-6-14/h1-11,17H,12-13H2/b10-9+/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 325.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10381663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).