3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid

C10H15NO4 — CID 118642386

IUPAC3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid
SMILESCCCCOc1noc(CC)c1C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-5-6-14-9-8(10(12)13)7(4-2)15-11-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyJDEJPQRDEGAKQL-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.11
Rot. Bonds6

About 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid

3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid (PubChem CID 118642386) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid
PubChem CID118642386
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid
SMILESCCCCOc1noc(CC)c1C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-5-6-14-9-8(10(12)13)7(4-2)15-11-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyJDEJPQRDEGAKQL-UHFFFAOYSA-N
XLogP2.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 45156397
5-(4-butoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63448625
3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid
CID 80515523
5-ethyl-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 114058122
4,5-diethyl-1,2-oxazole-3-carboxylic acid
CID 105434054
4-butoxy-2,3,5,6-tetrafluorobenzoic acid
CID 4771143
5-ethyl-3-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid
CID 96599221
5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
5,6-diethyl-3-(3-hydroxypropoxy)pyridazine-4-carboxylic acid
CID 80517318
5-butoxy-2,3,4-triethoxy-6-hydroxybenzoic acid
CID 87859355
2,5-dibutoxy-4-carboxy-3,6-dimethylbenzoate
CID 58835602
2-butoxybenzoic acid;carbonic acid
CID 137455653

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid (CID 118642386) is 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid is CCCCOc1noc(CC)c1C(=O)O.
What is the InChIKey of 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is JDEJPQRDEGAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-5-6-14-9-8(10(12)13)7(4-2)15-11-9/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid?
3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-5-ethyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 118642386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).