methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

C22H21NO5 — CID 102332824

IUPACmethyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](N2C(=O)OC[C@H]2c2ccccc2)O1
InChIInChI=1S/C22H21NO5/c1-26-21(24)19-12-17(15-8-4-2-5-9-15)13-20(28-19)23-18(14-27-22(23)25)16-10-6-3-7-11-16/h2-12,17-18,20H,13-14H2,1H3/t17-,18+,20+/m1/s1
InChIKeyPYZQQGJNXDVURV-HBFSDRIKSA-N
MW379.41 g/mol
LogP3.77
Rot. Bonds4

About methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 102332824) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID102332824
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Namemethyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](N2C(=O)OC[C@H]2c2ccccc2)O1
InChIInChI=1S/C22H21NO5/c1-26-21(24)19-12-17(15-8-4-2-5-9-15)13-20(28-19)23-18(14-27-22(23)25)16-10-6-3-7-11-16/h2-12,17-18,20H,13-14H2,1H3/t17-,18+,20+/m1/s1
InChIKeyPYZQQGJNXDVURV-HBFSDRIKSA-N
XLogP3.77
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 102332824) is methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](N2C(=O)OC[C@H]2c2ccccc2)O1.
What is the InChIKey of methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is PYZQQGJNXDVURV-HBFSDRIKSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-21(24)19-12-17(15-8-4-2-5-9-15)13-20(28-19)23-18(14-27-22(23)25)16-10-6-3-7-11-16/h2-12,17-18,20H,13-14H2,1H3/t17-,18+,20+/m1/s1.
What are the key properties of methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 102332824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).