3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid

C18H16N4O5 — CID 75368239

IUPAC3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc([C@@H](C)NC(=O)c3cnccn3)c2C(=O)O)cc1
InChIInChI=1S/C18H16N4O5/c1-10(21-17(23)13-9-19-7-8-20-13)16-14(18(24)25)15(22-27-16)11-3-5-12(26-2)6-4-11/h3-10H,1-2H3,(H,21,23)(H,24,25)/t10-/m1/s1
InChIKeyWSHJUDKPJHOMJL-SNVBAGLBSA-N
MW368.35 g/mol
LogP2.33
Rot. Bonds6

About 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid

3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 75368239) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID75368239
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc([C@@H](C)NC(=O)c3cnccn3)c2C(=O)O)cc1
InChIInChI=1S/C18H16N4O5/c1-10(21-17(23)13-9-19-7-8-20-13)16-14(18(24)25)15(22-27-16)11-3-5-12(26-2)6-4-11/h3-10H,1-2H3,(H,21,23)(H,24,25)/t10-/m1/s1
InChIKeyWSHJUDKPJHOMJL-SNVBAGLBSA-N
XLogP2.33
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162849234
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
3-(4-fluorophenyl)-5-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162798900
5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 162798343
5-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368372
3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 162935431
5-[1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162807901
5-[(1R)-1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid;dihydrochloride
CID 146119629
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368294
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 118747504

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid (CID 75368239) is 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2noc([C@@H](C)NC(=O)c3cnccn3)c2C(=O)O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is WSHJUDKPJHOMJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-10(21-17(23)13-9-19-7-8-20-13)16-14(18(24)25)15(22-27-16)11-3-5-12(26-2)6-4-11/h3-10H,1-2H3,(H,21,23)(H,24,25)/t10-/m1/s1.
What are the key properties of 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).