[(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate

C24H25NO5 — CID 134887315

IUPAC[(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate
SMILESCCO[C@]1(C)C(OC(C)=O)=CC1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H25NO5/c1-4-28-24(3)19(15-20(24)29-16(2)26)25-21(17-11-7-5-8-12-17)22(30-23(25)27)18-13-9-6-10-14-18/h5-15,19,21-22H,4H2,1-3H3/t19?,21-,22+,24+/m1/s1
InChIKeyDBVAQQJHLULYRJ-HNPMURFFSA-N
MW407.47 g/mol
LogP4.55
Rot. Bonds6

About [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate

[(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate (PubChem CID 134887315) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate.

Molecular Properties

Compound Name[(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate
PubChem CID134887315
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate
SMILESCCO[C@]1(C)C(OC(C)=O)=CC1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H25NO5/c1-4-28-24(3)19(15-20(24)29-16(2)26)25-21(17-11-7-5-8-12-17)22(30-23(25)27)18-13-9-6-10-14-18/h5-15,19,21-22H,4H2,1-3H3/t19?,21-,22+,24+/m1/s1
InChIKeyDBVAQQJHLULYRJ-HNPMURFFSA-N
XLogP4.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate?
The IUPAC name of [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate (CID 134887315) is [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate.
What is the SMILES notation for [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate?
The canonical SMILES for [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate is CCO[C@]1(C)C(OC(C)=O)=CC1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate?
The InChIKey is DBVAQQJHLULYRJ-HNPMURFFSA-N. The full InChI is InChI=1S/C24H25NO5/c1-4-28-24(3)19(15-20(24)29-16(2)26)25-21(17-11-7-5-8-12-17)22(30-23(25)27)18-13-9-6-10-14-18/h5-15,19,21-22H,4H2,1-3H3/t19?,21-,22+,24+/m1/s1.
What are the key properties of [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate?
[(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate has a molecular weight of 407.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-ethoxy-4-methyl-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclobuten-1-yl] acetate is sourced from PubChem (CID 134887315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).