(4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C18H16N2O3 — CID 11483648

IUPAC(4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17-16(15(19-17)13-9-5-2-6-10-13)20-14(11-23-18(20)22)12-7-3-1-4-8-12/h1-10,14-16H,11H2,(H,19,21)/t14-,15+,16+/m1/s1
InChIKeyPEFSCCMHLYAWTM-PMPSAXMXSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds3

About (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11483648) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11483648
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17-16(15(19-17)13-9-5-2-6-10-13)20-14(11-23-18(20)22)12-7-3-1-4-8-12/h1-10,14-16H,11H2,(H,19,21)/t14-,15+,16+/m1/s1
InChIKeyPEFSCCMHLYAWTM-PMPSAXMXSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 11483648) is (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccccc2)[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PEFSCCMHLYAWTM-PMPSAXMXSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17-16(15(19-17)13-9-5-2-6-10-13)20-14(11-23-18(20)22)12-7-3-1-4-8-12/h1-10,14-16H,11H2,(H,19,21)/t14-,15+,16+/m1/s1.
What are the key properties of (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S,4S)-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11483648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).