phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate

C30H23N3O5 — CID 10436198

IUPACphenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C(=O)[C@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C30H23N3O5/c34-28-27(32-26(19-37-29(32)35)21-9-3-1-4-10-21)25(33(28)30(36)38-23-12-5-2-6-13-23)16-15-20-17-22-11-7-8-14-24(22)31-18-20/h1-18,25-27H,19H2/b16-15+/t25-,26-,27-/m1/s1
InChIKeyQKMLFVRBHSYYKF-MZJHJMIQSA-N
MW505.53 g/mol
LogP5.22
Rot. Bonds5

About phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate

phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate (PubChem CID 10436198) has the molecular formula C30H23N3O5 and a molecular weight of 505.53 g/mol. Its IUPAC name is phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate
PubChem CID10436198
Molecular FormulaC30H23N3O5
Molecular Weight505.53 g/mol
Exact Mass505.16
IUPAC Namephenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C(=O)[C@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C30H23N3O5/c34-28-27(32-26(19-37-29(32)35)21-9-3-1-4-10-21)25(33(28)30(36)38-23-12-5-2-6-13-23)16-15-20-17-22-11-7-8-14-24(22)31-18-20/h1-18,25-27H,19H2/b16-15+/t25-,26-,27-/m1/s1
InChIKeyQKMLFVRBHSYYKF-MZJHJMIQSA-N
XLogP5.22
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.53
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate?
The IUPAC name of phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate (CID 10436198) is phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate.
What is the SMILES notation for phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate?
The canonical SMILES for phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate is O=C(Oc1ccccc1)N1C(=O)[C@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cnc2ccccc2c1.
What is the InChIKey of phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate?
The InChIKey is QKMLFVRBHSYYKF-MZJHJMIQSA-N. The full InChI is InChI=1S/C30H23N3O5/c34-28-27(32-26(19-37-29(32)35)21-9-3-1-4-10-21)25(33(28)30(36)38-23-12-5-2-6-13-23)16-15-20-17-22-11-7-8-14-24(22)31-18-20/h1-18,25-27H,19H2/b16-15+/t25-,26-,27-/m1/s1.
What are the key properties of phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate?
phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate has a molecular weight of 505.53 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate is sourced from PubChem (CID 10436198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).