(3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

C22H23NO5 — CID 100763391

IUPAC(3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESCc1cc(C)cc(OC[C@@H](O)CN2C(=O)O[C@@]3(CCc4ccccc43)C2=O)c1
InChIInChI=1S/C22H23NO5/c1-14-9-15(2)11-18(10-14)27-13-17(24)12-23-20(25)22(28-21(23)26)8-7-16-5-3-4-6-19(16)22/h3-6,9-11,17,24H,7-8,12-13H2,1-2H3/t17-,22+/m0/s1
InChIKeyPPDZXALOIAMBNK-HTAPYJJXSA-N
MW381.43 g/mol
LogP2.86
Rot. Bonds5

About (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

(3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (PubChem CID 100763391) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
PubChem CID100763391
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name(3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESCc1cc(C)cc(OC[C@@H](O)CN2C(=O)O[C@@]3(CCc4ccccc43)C2=O)c1
InChIInChI=1S/C22H23NO5/c1-14-9-15(2)11-18(10-14)27-13-17(24)12-23-20(25)22(28-21(23)26)8-7-16-5-3-4-6-19(16)22/h3-6,9-11,17,24H,7-8,12-13H2,1-2H3/t17-,22+/m0/s1
InChIKeyPPDZXALOIAMBNK-HTAPYJJXSA-N
XLogP2.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The IUPAC name of (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (CID 100763391) is (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The canonical SMILES for (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)O[C@@]3(CCc4ccccc43)C2=O)c1.
What is the InChIKey of (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The InChIKey is PPDZXALOIAMBNK-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14-9-15(2)11-18(10-14)27-13-17(24)12-23-20(25)22(28-21(23)26)8-7-16-5-3-4-6-19(16)22/h3-6,9-11,17,24H,7-8,12-13H2,1-2H3/t17-,22+/m0/s1.
What are the key properties of (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
(3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione has a molecular weight of 381.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is sourced from PubChem (CID 100763391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).