5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid

C16H21NO4 — CID 134284326

IUPAC5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid
SMILESCOC12CCC(c3noc(C4CC4)c3C(=O)O)(CC1)CC2
InChIInChI=1S/C16H21NO4/c1-20-16-7-4-15(5-8-16,6-9-16)13-11(14(18)19)12(21-17-13)10-2-3-10/h10H,2-9H2,1H3,(H,18,19)
InChIKeyIEDSGTYWQRBJSY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.24
Rot. Bonds4

About 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid

5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 134284326) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid
PubChem CID134284326
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid
SMILESCOC12CCC(c3noc(C4CC4)c3C(=O)O)(CC1)CC2
InChIInChI=1S/C16H21NO4/c1-20-16-7-4-15(5-8-16,6-9-16)13-11(14(18)19)12(21-17-13)10-2-3-10/h10H,2-9H2,1H3,(H,18,19)
InChIKeyIEDSGTYWQRBJSY-UHFFFAOYSA-N
XLogP3.24
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid with MolForge

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Related Compounds

[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
CID 134284341
3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
CID 105439905
5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 106821236
5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid
CID 113390704
5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 105448821
5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 134284360
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
CID 105449750
5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid
CID 82373279
5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 91811880
5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid
CID 125451607
methyl 2-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)acetate
CID 162373149
1-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)-N-methylanilino]cyclopropane-1-carboxylic acid
CID 54012968

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid (CID 134284326) is 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid is COC12CCC(c3noc(C4CC4)c3C(=O)O)(CC1)CC2.
What is the InChIKey of 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is IEDSGTYWQRBJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-16-7-4-15(5-8-16,6-9-16)13-11(14(18)19)12(21-17-13)10-2-3-10/h10H,2-9H2,1H3,(H,18,19).
What are the key properties of 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid?
5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 134284326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).