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

C7H9NO3 — CID 2063310

IUPAC3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1noc(C)c1C(=O)O
InChIInChI=1S/C7H9NO3/c1-3-5-6(7(9)10)4(2)11-8-5/h3H2,1-2H3,(H,9,10)
InChIKeyRSWFHHWVFZWIMV-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.24
Rot. Bonds2

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

3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 2063310) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID2063310
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1noc(C)c1C(=O)O
InChIInChI=1S/C7H9NO3/c1-3-5-6(7(9)10)4(2)11-8-5/h3H2,1-2H3,(H,9,10)
InChIKeyRSWFHHWVFZWIMV-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid
CID 165470864
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 165465449
3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10398313
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]pentanedioic acid
CID 61151729
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
CID 78910383
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62818954
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 115771797

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid (CID 2063310) is 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid is CCc1noc(C)c1C(=O)O.
What is the InChIKey of 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is RSWFHHWVFZWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-5-6(7(9)10)4(2)11-8-5/h3H2,1-2H3,(H,9,10).
What are the key properties of 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid?
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 2063310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).