4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid

C10H13NO4 — CID 105464783

IUPAC4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
SMILESCOc1onc(C(=O)O)c1C1CCCC1
InChIInChI=1S/C10H13NO4/c1-14-10-7(6-4-2-3-5-6)8(9(12)13)11-15-10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyVJOHDWIOAKTTTD-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.04
Rot. Bonds3

About 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid

4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid (PubChem CID 105464783) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
PubChem CID105464783
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
SMILESCOc1onc(C(=O)O)c1C1CCCC1
InChIInChI=1S/C10H13NO4/c1-14-10-7(6-4-2-3-5-6)8(9(12)13)11-15-10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyVJOHDWIOAKTTTD-UHFFFAOYSA-N
XLogP2.04
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314
4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105498756
5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
CID 84678934
4-cyclohexyl-3,5-dimethoxybenzoic acid
CID 170351500
2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid
CID 84697489
methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
CID 154791565
4-cyclobutyl-3-methoxy-1H-pyrazole-5-carboxylic acid
CID 105449718
5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 105448821
5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid
CID 82373279
4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid
CID 84713707

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid (CID 105464783) is 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid is COc1onc(C(=O)O)c1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid?
The InChIKey is VJOHDWIOAKTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-10-7(6-4-2-3-5-6)8(9(12)13)11-15-10/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid?
4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105464783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).