(4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid

C18H17NO5 — CID 57054963

IUPAC(4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOC1O[C@@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C18H17NO5/c1-23-18-19(16(20)13-10-6-3-7-11-13)14(15(24-18)17(21)22)12-8-4-2-5-9-12/h2-11,14-15,18H,1H3,(H,21,22)/t14-,15+,18?/m0/s1
InChIKeyFSJYQUJTWRHTBP-DYNVDGSKSA-N
MW327.34 g/mol
LogP2.28
Rot. Bonds4

About (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid

(4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 57054963) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID57054963
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOC1O[C@@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C18H17NO5/c1-23-18-19(16(20)13-10-6-3-7-11-13)14(15(24-18)17(21)22)12-8-4-2-5-9-12/h2-11,14-15,18H,1H3,(H,21,22)/t14-,15+,18?/m0/s1
InChIKeyFSJYQUJTWRHTBP-DYNVDGSKSA-N
XLogP2.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CID 57054963) is (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid is COC1O[C@@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccccc1.
What is the InChIKey of (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is FSJYQUJTWRHTBP-DYNVDGSKSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-18-19(16(20)13-10-6-3-7-11-13)14(15(24-18)17(21)22)12-8-4-2-5-9-12/h2-11,14-15,18H,1H3,(H,21,22)/t14-,15+,18?/m0/s1.
What are the key properties of (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
(4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzoyl-2-methoxy-4-phenyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 57054963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).