2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid

C9H13NO4 — CID 115021616

IUPAC2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1coc(C(O)C(=O)O)n1
InChIInChI=1S/C9H13NO4/c1-9(2,3)5-4-14-7(10-5)6(11)8(12)13/h4,6,11H,1-3H3,(H,12,13)
InChIKeyALPYVPKLGASFAF-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.09
Rot. Bonds2

About 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid

2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid (PubChem CID 115021616) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid
PubChem CID115021616
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1coc(C(O)C(=O)O)n1
InChIInChI=1S/C9H13NO4/c1-9(2,3)5-4-14-7(10-5)6(11)8(12)13/h4,6,11H,1-3H3,(H,12,13)
InChIKeyALPYVPKLGASFAF-UHFFFAOYSA-N
XLogP1.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
CID 82415982
4-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 59788790
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide
CID 167992732
(4-tert-butyl-1,3-oxazol-2-yl)boronic acid
CID 165444745
4-tert-butyl-1,3-oxazol-2-amine;hydrochloride
CID 118994196
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
potassium;(4-tert-butyl-1,3-oxazol-2-yl)methanone;hydroxide
CID 153295512
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 167786219
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide
CID 165450530
2-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetic acid
CID 21408287
4-tert-butyl-2-ethoxy-1,3-oxazole
CID 118259111

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid (CID 115021616) is 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid is CC(C)(C)c1coc(C(O)C(=O)O)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid?
The InChIKey is ALPYVPKLGASFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-9(2,3)5-4-14-7(10-5)6(11)8(12)13/h4,6,11H,1-3H3,(H,12,13).
What are the key properties of 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid?
2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid has a molecular weight of 199.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115021616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).