5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

C20H22N6O3 — CID 109289419

IUPAC5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCOc1ccc(N2CCN(c3cnc(C(=O)Nc4cc(C)on4)cn3)CC2)cc1
InChIInChI=1S/C20H22N6O3/c1-14-11-18(24-29-14)23-20(27)17-12-22-19(13-21-17)26-9-7-25(8-10-26)15-3-5-16(28-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)
InChIKeyLWHOMGIJQGZBDR-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.36
Rot. Bonds5

About 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (PubChem CID 109289419) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
PubChem CID109289419
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCOc1ccc(N2CCN(c3cnc(C(=O)Nc4cc(C)on4)cn3)CC2)cc1
InChIInChI=1S/C20H22N6O3/c1-14-11-18(24-29-14)23-20(27)17-12-22-19(13-21-17)26-9-7-25(8-10-26)15-3-5-16(28-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)
InChIKeyLWHOMGIJQGZBDR-UHFFFAOYSA-N
XLogP2.36
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109279295
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276688
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
CID 109162071
5-[(4-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109190552
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109373111
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617
2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146109682

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (CID 109289419) is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is COc1ccc(N2CCN(c3cnc(C(=O)Nc4cc(C)on4)cn3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is LWHOMGIJQGZBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-14-11-18(24-29-14)23-20(27)17-12-22-19(13-21-17)26-9-7-25(8-10-26)15-3-5-16(28-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27).
What are the key properties of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).