5-tert-butyl-1,3-oxazole-2-carboxylic acid

C8H11NO3 — CID 11030244

IUPAC5-tert-butyl-1,3-oxazole-2-carboxylic acid
SMILESCC(C)(C)c1cnc(C(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-8(2,3)5-4-9-6(12-5)7(10)11/h4H,1-3H3,(H,10,11)
InChIKeyVBNWSGXUJZAXOY-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.67
Rot. Bonds1

About 5-tert-butyl-1,3-oxazole-2-carboxylic acid

5-tert-butyl-1,3-oxazole-2-carboxylic acid (PubChem CID 11030244) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-tert-butyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-1,3-oxazole-2-carboxylic acid
PubChem CID11030244
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-tert-butyl-1,3-oxazole-2-carboxylic acid
SMILESCC(C)(C)c1cnc(C(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-8(2,3)5-4-9-6(12-5)7(10)11/h4H,1-3H3,(H,10,11)
InChIKeyVBNWSGXUJZAXOY-UHFFFAOYSA-N
XLogP1.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
CID 11788834
5-(1,1-Dimethylethyl)-2-oxazolemethanol
CID 22731089
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanol
CID 90380830
(5-Ethyl-1,3-oxazol-2-yl)methanol
CID 105427307
Potassium 5-tert-butyl-1,3-oxazole-2-carboxylate
CID 146081955
2-((5-Methyl-1,3-oxazol-2-yl)methoxy)acetic acid
CID 83814406
Lithium(1+) 5-ethyl-1,3-oxazole-2-carboxylate
CID 155943585
Lithium(1+)5-(propan-2-yl)-1,3-oxazole-2-carboxylate
CID 165821448
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618
5-Tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
5-Methyloxazole-2-carboxylic acid
CID 22646753

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-tert-butyl-1,3-oxazole-2-carboxylic acid (CID 11030244) is 5-tert-butyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-tert-butyl-1,3-oxazole-2-carboxylic acid is CC(C)(C)c1cnc(C(=O)O)o1.
What is the InChIKey of 5-tert-butyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is VBNWSGXUJZAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-8(2,3)5-4-9-6(12-5)7(10)11/h4H,1-3H3,(H,10,11).
What are the key properties of 5-tert-butyl-1,3-oxazole-2-carboxylic acid?
5-tert-butyl-1,3-oxazole-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 11030244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).