methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate

C15H21NO4 — CID 3136581

IUPACmethyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(C)C)N(c2ccccc2)OC1(C)O
InChIInChI=1S/C15H21NO4/c1-10(2)13-12(14(17)19-4)15(3,18)20-16(13)11-8-6-5-7-9-11/h5-10,12-13,18H,1-4H3
InChIKeyAKRXFMFKOIECJQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.96
Rot. Bonds3

About methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate

methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate (PubChem CID 3136581) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate
PubChem CID3136581
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(C)C)N(c2ccccc2)OC1(C)O
InChIInChI=1S/C15H21NO4/c1-10(2)13-12(14(17)19-4)15(3,18)20-16(13)11-8-6-5-7-9-11/h5-10,12-13,18H,1-4H3
InChIKeyAKRXFMFKOIECJQ-UHFFFAOYSA-N
XLogP1.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate (CID 3136581) is methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate is COC(=O)C1C(C(C)C)N(c2ccccc2)OC1(C)O.
What is the InChIKey of methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate?
The InChIKey is AKRXFMFKOIECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)13-12(14(17)19-4)15(3,18)20-16(13)11-8-6-5-7-9-11/h5-10,12-13,18H,1-4H3.
What are the key properties of methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate?
methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 3136581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).