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

C10H13NO3 — CID 82400587

IUPAC4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C10H13NO3/c1-5(2)9-11-7(6-3-4-6)8(14-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyZANSAWAFRIAZBW-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.37
Rot. Bonds3

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

4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 82400587) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
PubChem CID82400587
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C10H13NO3/c1-5(2)9-11-7(6-3-4-6)8(14-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyZANSAWAFRIAZBW-UHFFFAOYSA-N
XLogP2.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374240
4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 103311248
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 114374260
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374176
5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole
CID 131062594
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
CID 125454593
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
4-methyl-N,2-di(propan-2-yl)-1,3-oxazole-5-carboxamide
CID 177272244

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid (CID 82400587) is 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid is CC(C)c1nc(C2CC2)c(C(=O)O)o1.
What is the InChIKey of 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZANSAWAFRIAZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-5(2)9-11-7(6-3-4-6)8(14-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82400587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).