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

C17H13ClN4O4 — CID 162849234

IUPAC3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(NC(=O)c1cnccn1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H13ClN4O4/c1-9(21-16(23)12-8-19-6-7-20-12)15-13(17(24)25)14(22-26-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,21,23)(H,24,25)
InChIKeyWHPHOAOWICZWTC-UHFFFAOYSA-N
MW372.77 g/mol
LogP2.97
Rot. Bonds5

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

3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 162849234) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID162849234
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC Name3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(NC(=O)c1cnccn1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H13ClN4O4/c1-9(21-16(23)12-8-19-6-7-20-12)15-13(17(24)25)14(22-26-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,21,23)(H,24,25)
InChIKeyWHPHOAOWICZWTC-UHFFFAOYSA-N
XLogP2.97
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368239
3-(4-fluorophenyl)-5-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162798900
3-(4-chlorophenyl)-5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368247
3-(4-chlorophenyl)-5-[1-(propan-2-ylsulfonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162798382
5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 118747504
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
3-(4-chlorophenyl)-5-[(1R)-1-(cyclopentylmethylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368201
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368294
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-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid (CID 162849234) is 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid is CC(NC(=O)c1cnccn1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is WHPHOAOWICZWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c1-9(21-16(23)12-8-19-6-7-20-12)15-13(17(24)25)14(22-26-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,21,23)(H,24,25).
What are the key properties of 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 372.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 162849234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).