4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid

C11H15NO4 — CID 124597917

IUPAC4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc([C@@H]2CCO[C@@H]2C)oc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-8-9(11(13)14)16-10(12-8)7-4-5-15-6(7)2/h6-7H,3-5H2,1-2H3,(H,13,14)/t6-,7-/m1/s1
InChIKeyDLYRMAJNFWWJHJ-RNFRBKRXSA-N
MW225.24 g/mol
LogP1.83
Rot. Bonds3

About 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid

4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid (PubChem CID 124597917) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
PubChem CID124597917
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc([C@@H]2CCO[C@@H]2C)oc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-8-9(11(13)14)16-10(12-8)7-4-5-15-6(7)2/h6-7H,3-5H2,1-2H3,(H,13,14)/t6-,7-/m1/s1
InChIKeyDLYRMAJNFWWJHJ-RNFRBKRXSA-N
XLogP1.83
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114106019
ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372659
2-(7-bicyclo[4.1.0]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842353
4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
CID 104842470
4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid
CID 114097257
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate
CID 103199126
2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114106018
2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842413
ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 113459795
2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107003583

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid (CID 124597917) is 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid is CCc1nc([C@@H]2CCO[C@@H]2C)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is DLYRMAJNFWWJHJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-8-9(11(13)14)16-10(12-8)7-4-5-15-6(7)2/h6-7H,3-5H2,1-2H3,(H,13,14)/t6-,7-/m1/s1.
What are the key properties of 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 124597917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).