2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid

C22H20N2O5 — CID 66587194

IUPAC2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(N2C(=O)OC[C@@H]2c2ccccc2)C1C=Cc1ccccc1
InChIInChI=1S/C22H20N2O5/c25-19(26)13-23-17(12-11-15-7-3-1-4-8-15)20(21(23)27)24-18(14-29-22(24)28)16-9-5-2-6-10-16/h1-12,17-18,20H,13-14H2,(H,25,26)/t17?,18-,20?/m1/s1
InChIKeyFREJWWCBLXWTKD-QPIRBTGLSA-N
MW392.41 g/mol
LogP2.56
Rot. Bonds6

About 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid

2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid (PubChem CID 66587194) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid
PubChem CID66587194
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(N2C(=O)OC[C@@H]2c2ccccc2)C1C=Cc1ccccc1
InChIInChI=1S/C22H20N2O5/c25-19(26)13-23-17(12-11-15-7-3-1-4-8-15)20(21(23)27)24-18(14-29-22(24)28)16-9-5-2-6-10-16/h1-12,17-18,20H,13-14H2,(H,25,26)/t17?,18-,20?/m1/s1
InChIKeyFREJWWCBLXWTKD-QPIRBTGLSA-N
XLogP2.56
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid (CID 66587194) is 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid is O=C(O)CN1C(=O)C(N2C(=O)OC[C@@H]2c2ccccc2)C1C=Cc1ccccc1.
What is the InChIKey of 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid?
The InChIKey is FREJWWCBLXWTKD-QPIRBTGLSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-19(26)13-23-17(12-11-15-7-3-1-4-8-15)20(21(23)27)24-18(14-29-22(24)28)16-9-5-2-6-10-16/h1-12,17-18,20H,13-14H2,(H,25,26)/t17?,18-,20?/m1/s1.
What are the key properties of 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid?
2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid has a molecular weight of 392.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid is sourced from PubChem (CID 66587194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).