methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate

C16H21NO5 — CID 12620020

IUPACmethyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)O[C@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C16H21NO5/c1-11-14(12-8-6-5-7-9-12)22-16(17(11)2,15(19)21-4)10-13(18)20-3/h5-9,11,14H,10H2,1-4H3/t11-,14-,16?/m0/s1
InChIKeyXZCMRQKOSFYGHO-XPFLZZBLSA-N
MW307.35 g/mol
LogP1.51
Rot. Bonds4

About methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate

methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate (PubChem CID 12620020) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate
PubChem CID12620020
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)O[C@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C16H21NO5/c1-11-14(12-8-6-5-7-9-12)22-16(17(11)2,15(19)21-4)10-13(18)20-3/h5-9,11,14H,10H2,1-4H3/t11-,14-,16?/m0/s1
InChIKeyXZCMRQKOSFYGHO-XPFLZZBLSA-N
XLogP1.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate?
The IUPAC name of methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate (CID 12620020) is methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate is COC(=O)CC1(C(=O)OC)O[C@H](c2ccccc2)[C@H](C)N1C.
What is the InChIKey of methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate?
The InChIKey is XZCMRQKOSFYGHO-XPFLZZBLSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11-14(12-8-6-5-7-9-12)22-16(17(11)2,15(19)21-4)10-13(18)20-3/h5-9,11,14H,10H2,1-4H3/t11-,14-,16?/m0/s1.
What are the key properties of methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate?
methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 12620020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).