4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid

C14H17NO3 — CID 114097257

IUPAC4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2C3C4CCC(C4)C23)oc1C(=O)O
InChIInChI=1S/C14H17NO3/c1-2-8-12(14(16)17)18-13(15-8)11-9-6-3-4-7(5-6)10(9)11/h6-7,9-11H,2-5H2,1H3,(H,16,17)
InChIKeyOIUGHUJXXXCPKO-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.69
Rot. Bonds3

About 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid

4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114097257) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114097257
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2C3C4CCC(C4)C23)oc1C(=O)O
InChIInChI=1S/C14H17NO3/c1-2-8-12(14(16)17)18-13(15-8)11-9-6-3-4-7(5-6)10(9)11/h6-7,9-11H,2-5H2,1H3,(H,16,17)
InChIKeyOIUGHUJXXXCPKO-UHFFFAOYSA-N
XLogP2.69
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid with MolForge

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Related Compounds

2-(7-bicyclo[4.1.0]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842353
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
CID 124597917
4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
CID 104842470
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
4-(2-methylpropyl)-2-(oxan-4-yl)-1,3-oxazole-5-carboxylic acid
CID 114374696
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 83673039
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114106019

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid (CID 114097257) is 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid is CCc1nc(C2C3C4CCC(C4)C23)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is OIUGHUJXXXCPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-8-12(14(16)17)18-13(15-8)11-9-6-3-4-7(5-6)10(9)11/h6-7,9-11H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114097257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).