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

C20H22N4O5 — CID 46097407

IUPAC3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(C)c2C(=O)NCc2cnc(C)cn2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O5/c1-11-8-22-14(9-21-11)10-23-20(25)17-12(2)24-29-18(17)13-6-15(26-3)19(28-5)16(7-13)27-4/h6-9H,10H2,1-5H3,(H,23,25)
InChIKeyGMMYSTPLEOISJS-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.70
Rot. Bonds7

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

3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 46097407) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID46097407
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(C)c2C(=O)NCc2cnc(C)cn2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O5/c1-11-8-22-14(9-21-11)10-23-20(25)17-12(2)24-29-18(17)13-6-15(26-3)19(28-5)16(7-13)27-4/h6-9H,10H2,1-5H3,(H,23,25)
InChIKeyGMMYSTPLEOISJS-UHFFFAOYSA-N
XLogP2.70
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (CID 46097407) is 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is COc1cc(-c2onc(C)c2C(=O)NCc2cnc(C)cn2)cc(OC)c1OC.
What is the InChIKey of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is GMMYSTPLEOISJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-11-8-22-14(9-21-11)10-23-20(25)17-12(2)24-29-18(17)13-6-15(26-3)19(28-5)16(7-13)27-4/h6-9H,10H2,1-5H3,(H,23,25).
What are the key properties of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).