4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid

C7H9NO4 — CID 157031880

IUPAC4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid
SMILESCC(C)Oc1conc1C(=O)O
InChIInChI=1S/C7H9NO4/c1-4(2)12-5-3-11-8-6(5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyFZPOOPPGOUMAHD-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.16
Rot. Bonds3

About 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid

4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid (PubChem CID 157031880) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid
PubChem CID157031880
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid
SMILESCC(C)Oc1conc1C(=O)O
InChIInChI=1S/C7H9NO4/c1-4(2)12-5-3-11-8-6(5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyFZPOOPPGOUMAHD-UHFFFAOYSA-N
XLogP1.16
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxypyridine-2,6-dicarboxylic acid
CID 141375769
4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110860342
4-chloro-1,2-oxazole-3-carboxylic acid
CID 18756294
1-ethyl-4-propan-2-yloxypyrazole-3-carboxylic acid
CID 155892423
ethane;4-methoxy-1,2-oxazole-3-carboxamide
CID 157030900
5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid
CID 21243563
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 98019003
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
4-methyl-3-propan-2-yloxy-1,2-oxazole
CID 21034008
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117475826
4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid (CID 157031880) is 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid is CC(C)Oc1conc1C(=O)O.
What is the InChIKey of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?
The InChIKey is FZPOOPPGOUMAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(2)12-5-3-11-8-6(5)7(9)10/h3-4H,1-2H3,(H,9,10).
What are the key properties of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?
4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 157031880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).