methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate

C16H21NO5 — CID 589119

IUPACmethyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(=O)C(C(O)c2ccccc2)OC1C(C)(C)C
InChIInChI=1S/C16H21NO5/c1-16(2,3)14-17(15(20)21-4)13(19)12(22-14)11(18)10-8-6-5-7-9-10/h5-9,11-12,14,18H,1-4H3
InChIKeyAMFSWMFJSGZGCO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.09
Rot. Bonds2

About methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate

methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 589119) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID589119
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(=O)C(C(O)c2ccccc2)OC1C(C)(C)C
InChIInChI=1S/C16H21NO5/c1-16(2,3)14-17(15(20)21-4)13(19)12(22-14)11(18)10-8-6-5-7-9-10/h5-9,11-12,14,18H,1-4H3
InChIKeyAMFSWMFJSGZGCO-UHFFFAOYSA-N
XLogP2.09
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate (CID 589119) is methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate is COC(=O)N1C(=O)C(C(O)c2ccccc2)OC1C(C)(C)C.
What is the InChIKey of methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is AMFSWMFJSGZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-16(2,3)14-17(15(20)21-4)13(19)12(22-14)11(18)10-8-6-5-7-9-10/h5-9,11-12,14,18H,1-4H3.
What are the key properties of methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate?
methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-5-[hydroxy(phenyl)methyl]-4-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 589119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).