5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide

C17H15ClN4O2 — CID 46097190

IUPAC5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1cnc(CNC(=O)c2c(C)noc2-c2ccccc2Cl)cn1
InChIInChI=1S/C17H15ClN4O2/c1-10-7-20-12(8-19-10)9-21-17(23)15-11(2)22-24-16(15)13-5-3-4-6-14(13)18/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeySSWRRWFLEIERPS-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.33
Rot. Bonds4

About 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide

5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 46097190) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID46097190
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1cnc(CNC(=O)c2c(C)noc2-c2ccccc2Cl)cn1
InChIInChI=1S/C17H15ClN4O2/c1-10-7-20-12(8-19-10)9-21-17(23)15-11(2)22-24-16(15)13-5-3-4-6-14(13)18/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeySSWRRWFLEIERPS-UHFFFAOYSA-N
XLogP3.33
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097174
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097141
5-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 92760842
5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46093851
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
methyl 2-chloro-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]benzoate
CID 91357324
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
3-methyl-5-(2-methylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 46096895
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide (CID 46097190) is 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1cnc(CNC(=O)c2c(C)noc2-c2ccccc2Cl)cn1.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SSWRRWFLEIERPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-7-20-12(8-19-10)9-21-17(23)15-11(2)22-24-16(15)13-5-3-4-6-14(13)18/h3-8H,9H2,1-2H3,(H,21,23).
What are the key properties of 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).