(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C20H18FNO3 — CID 67259947

IUPAC(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC=Cc1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C20H18FNO3/c21-17-12-10-15(11-13-17)6-4-5-9-19(23)22-18(14-25-20(22)24)16-7-2-1-3-8-16/h1-4,6-8,10-13,18H,5,9,14H2/t18-/m1/s1
InChIKeyRIQXORLEHBRYEJ-GOSISDBHSA-N
MW339.37 g/mol
LogP4.34
Rot. Bonds5

About (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 67259947) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID67259947
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC=Cc1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C20H18FNO3/c21-17-12-10-15(11-13-17)6-4-5-9-19(23)22-18(14-25-20(22)24)16-7-2-1-3-8-16/h1-4,6-8,10-13,18H,5,9,14H2/t18-/m1/s1
InChIKeyRIQXORLEHBRYEJ-GOSISDBHSA-N
XLogP4.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 67259947) is (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCC=Cc1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RIQXORLEHBRYEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-17-12-10-15(11-13-17)6-4-5-9-19(23)22-18(14-25-20(22)24)16-7-2-1-3-8-16/h1-4,6-8,10-13,18H,5,9,14H2/t18-/m1/s1.
What are the key properties of (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 339.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67259947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).