3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid

C18H27NO4 — CID 23237991

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid
SMILESCC(C)(C)c1cc(C2CC(C(=O)O)ON2)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H27NO4/c1-17(2,3)11-7-10(8-12(15(11)20)18(4,5)6)13-9-14(16(21)22)23-19-13/h7-8,13-14,19-20H,9H2,1-6H3,(H,21,22)
InChIKeyQRBXLUFGRALHDB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.41
Rot. Bonds2

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid

3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid (PubChem CID 23237991) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid
PubChem CID23237991
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid
SMILESCC(C)(C)c1cc(C2CC(C(=O)O)ON2)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H27NO4/c1-17(2,3)11-7-10(8-12(15(11)20)18(4,5)6)13-9-14(16(21)22)23-19-13/h7-8,13-14,19-20H,9H2,1-6H3,(H,21,22)
InChIKeyQRBXLUFGRALHDB-UHFFFAOYSA-N
XLogP3.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,5S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylate
CID 1423328
4-[(2S)-azetidin-2-yl]-2,6-ditert-butylphenol
CID 171196611
(2R,4R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40608011
4,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)thiepane-4-carboxylic acid
CID 87899195
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
CID 153384878
CID 153384878
1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 57164668
2,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)adamantane-2,6-diol
CID 15535451
2-tert-butyl-6-methyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenol
CID 21421710
(1S,3S,4aR,9aR)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-6-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 124823302
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
(4R)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187523

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid (CID 23237991) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid is CC(C)(C)c1cc(C2CC(C(=O)O)ON2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid?
The InChIKey is QRBXLUFGRALHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-17(2,3)11-7-10(8-12(15(11)20)18(4,5)6)13-9-14(16(21)22)23-19-13/h7-8,13-14,19-20H,9H2,1-6H3,(H,21,22).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 3.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 23237991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).