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

C7H9NO3 — CID 46737737

IUPAC4-propan-2-yl-1,3-oxazole-2-carboxylic acid
SMILESCC(C)c1coc(C(=O)O)n1
InChIInChI=1S/C7H9NO3/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyUWOQHVIFRKIBLK-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.50
Rot. Bonds2

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

4-propan-2-yl-1,3-oxazole-2-carboxylic acid (PubChem CID 46737737) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-1,3-oxazole-2-carboxylic acid
PubChem CID46737737
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-propan-2-yl-1,3-oxazole-2-carboxylic acid
SMILESCC(C)c1coc(C(=O)O)n1
InChIInChI=1S/C7H9NO3/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyUWOQHVIFRKIBLK-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

2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115023782
1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone
CID 84764295
methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate
CID 115013695
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide
CID 146364145
4-(methylsulfonylmethyl)-1,3-oxazole-2-carboxylic acid
CID 117191037
2-acetyl-1,3-oxazole-4-carboxylic acid
CID 67168521
4-(2-methylpyrazol-3-yl)-1,3-oxazole-2-carboxylic acid
CID 118408813
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
6-propan-2-ylpyrazine-2-carboxylic acid
CID 59618308
methylidene-[4-methyl-3-(2-pyridin-3-ylethynyl)benzoyl]-(4-propan-2-yl-1,3-oxazol-2-yl)azanium
CID 155747565
4-pyridin-2-yl-1,3-oxazole-2-carboxylic acid
CID 67933620
2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
CID 175895153

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-propan-2-yl-1,3-oxazole-2-carboxylic acid (CID 46737737) is 4-propan-2-yl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-1,3-oxazole-2-carboxylic acid is CC(C)c1coc(C(=O)O)n1.
What is the InChIKey of 4-propan-2-yl-1,3-oxazole-2-carboxylic acid?
The InChIKey is UWOQHVIFRKIBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10).
What are the key properties of 4-propan-2-yl-1,3-oxazole-2-carboxylic acid?
4-propan-2-yl-1,3-oxazole-2-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 4-propan-2-yl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 46737737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).