5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid

C18H21N3O6 — CID 155165489

IUPAC5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCOC(=O)C1CCCC(Oc2cnc(-c3onc(C)c3C(=O)O)cn2)C1
InChIInChI=1S/C18H21N3O6/c1-3-25-18(24)11-5-4-6-12(7-11)26-14-9-19-13(8-20-14)16-15(17(22)23)10(2)21-27-16/h8-9,11-12H,3-7H2,1-2H3,(H,22,23)
InChIKeyBGGDSXXOLIHFQV-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.64
Rot. Bonds6

About 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid

5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 155165489) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID155165489
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCOC(=O)C1CCCC(Oc2cnc(-c3onc(C)c3C(=O)O)cn2)C1
InChIInChI=1S/C18H21N3O6/c1-3-25-18(24)11-5-4-6-12(7-11)26-14-9-19-13(8-20-14)16-15(17(22)23)10(2)21-27-16/h8-9,11-12H,3-7H2,1-2H3,(H,22,23)
InChIKeyBGGDSXXOLIHFQV-UHFFFAOYSA-N
XLogP2.64
TPSA124.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl (1S)-3-[5-(4-carbonochloridoyl-3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]oxycyclohexane-1-carboxylate
CID 155621115
trans-ethyl (1S,3S)-3-[5-(4-carbonochloridoyl-3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]oxycyclohexane-1-carboxylate
CID 155153681
ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate
CID 175084700
5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride
CID 167131323
3-[5-[3-methyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylic acid
CID 155165477
trans-(1S,3S)-3-[[6-[4-(bromomethyl)-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155165052
trans-(1S,3S)-3-[5-[5-(bromomethyl)-1-methyltriazol-4-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylic acid
CID 166666165
trans-ethyl (1S,3S)-3-(5-bromo-3-methylpyrazin-2-yl)oxycyclopentane-1-carboxylate
CID 150563040
trans-(1S,3S)-3-[[6-[3-methyl-4-[[methyl(phenylmethoxycarbonyl)amino]methyl]-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155153823
trans-(1S,3S)-3-[[6-[4-(bromomethyl)-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155144157
4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid
CID 162681054
trans-(1S,3S)-3-[[6-(4-formyl-3-methyl-1,2-oxazol-5-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155165065

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 155165489) is 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid is CCOC(=O)C1CCCC(Oc2cnc(-c3onc(C)c3C(=O)O)cn2)C1.
What is the InChIKey of 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is BGGDSXXOLIHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-3-25-18(24)11-5-4-6-12(7-11)26-14-9-19-13(8-20-14)16-15(17(22)23)10(2)21-27-16/h8-9,11-12H,3-7H2,1-2H3,(H,22,23).
What are the key properties of 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 155165489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).