benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate

C17H19NO5 — CID 11290077

IUPACbenzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@@H]([C@H]2C=CC(=O)O2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO5/c1-17(2)18(13(11-22-17)14-8-9-15(19)23-14)16(20)21-10-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyIXYAQRZYHPQMDN-UONOGXRCSA-N
MW317.34 g/mol
LogP2.24
Rot. Bonds3

About benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate

benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 11290077) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate
PubChem CID11290077
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namebenzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@@H]([C@H]2C=CC(=O)O2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO5/c1-17(2)18(13(11-22-17)14-8-9-15(19)23-14)16(20)21-10-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyIXYAQRZYHPQMDN-UONOGXRCSA-N
XLogP2.24
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate (CID 11290077) is benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate is CC1(C)OC[C@@H]([C@H]2C=CC(=O)O2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is IXYAQRZYHPQMDN-UONOGXRCSA-N. The full InChI is InChI=1S/C17H19NO5/c1-17(2)18(13(11-22-17)14-8-9-15(19)23-14)16(20)21-10-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-2,2-dimethyl-4-[(2R)-5-oxo-2H-furan-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11290077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).