5-propan-2-yl-1,3-oxazole-4-carboxylic acid

C7H9NO3 — CID 13488799

IUPAC5-propan-2-yl-1,3-oxazole-4-carboxylic acid
SMILESCC(C)c1ocnc1C(=O)O
InChIInChI=1S/C7H9NO3/c1-4(2)6-5(7(9)10)8-3-11-6/h3-4H,1-2H3,(H,9,10)
InChIKeyZVOZWIXEPNCJFY-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.50
Rot. Bonds2

About 5-propan-2-yl-1,3-oxazole-4-carboxylic acid

5-propan-2-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 13488799) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-1,3-oxazole-4-carboxylic acid
PubChem CID13488799
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name5-propan-2-yl-1,3-oxazole-4-carboxylic acid
SMILESCC(C)c1ocnc1C(=O)O
InChIInChI=1S/C7H9NO3/c1-4(2)6-5(7(9)10)8-3-11-6/h3-4H,1-2H3,(H,9,10)
InChIKeyZVOZWIXEPNCJFY-UHFFFAOYSA-N
XLogP1.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Ethyl 5-cyclopropyloxazole-4-carboxylate
CID 13496996
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
CID 21031491
5-(3,3,3-Trifluoropropyl)-1,3-oxazole-4-carboxylic acid
CID 65354675
5-methyl-1,3-oxazole-4-carboxylic Acid
CID 11355484
5-(1,1-Dimethylethyl)-4-oxazolecarboxylic acid
CID 22055236
5-Ethyl-1,3-oxazole-4-carboxylic acid
CID 28064054
5-Cyclopropyl-1,3-oxazole-4-carboxylic acid
CID 28064056
4-(Propan-2-yl)-1,3-oxazole-5-carboxylicacid
CID 59511877
5-(Oxan-4-yl)-1,3-oxazole-4-carboxylic acid
CID 62906595
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103
(5-Isopropyloxazol-4-yl)methanol
CID 45791245

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-propan-2-yl-1,3-oxazole-4-carboxylic acid (CID 13488799) is 5-propan-2-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-1,3-oxazole-4-carboxylic acid is CC(C)c1ocnc1C(=O)O.
What is the InChIKey of 5-propan-2-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZVOZWIXEPNCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(2)6-5(7(9)10)8-3-11-6/h3-4H,1-2H3,(H,9,10).
What are the key properties of 5-propan-2-yl-1,3-oxazole-4-carboxylic acid?
5-propan-2-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 13488799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).