4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid

C8H9NO3 — CID 105433312

IUPAC4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1oc(C(=O)O)nc1C1CC1
InChIInChI=1S/C8H9NO3/c1-4-6(5-2-3-5)9-7(12-4)8(10)11/h5H,2-3H2,1H3,(H,10,11)
InChIKeyXCVCBEPGSDIAOD-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.56
Rot. Bonds2

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

4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid (PubChem CID 105433312) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
PubChem CID105433312
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1oc(C(=O)O)nc1C1CC1
InChIInChI=1S/C8H9NO3/c1-4-6(5-2-3-5)9-7(12-4)8(10)11/h5H,2-3H2,1H3,(H,10,11)
InChIKeyXCVCBEPGSDIAOD-UHFFFAOYSA-N
XLogP1.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105462756
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole
CID 170382647
4-bromo-5-methyl-1,3-oxazole-2-carboxylic acid
CID 130056638
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
CID 105440602
4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374240
4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
CID 125454593
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
6-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 118990646
5-methyl-4-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 105440469
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374176

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid (CID 105433312) is 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid is Cc1oc(C(=O)O)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is XCVCBEPGSDIAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-6(5-2-3-5)9-7(12-4)8(10)11/h5H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid?
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 105433312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).