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

C18H19N5O4 — CID 109285950

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)Nc3cc(C)on3)cn2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-11-6-16(23-27-11)22-18(24)13-9-21-17(10-19-13)20-8-12-4-5-14(25-2)15(7-12)26-3/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyRUSITFHHXVVSQW-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.65
Rot. Bonds7

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

5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (PubChem CID 109285950) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
PubChem CID109285950
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)Nc3cc(C)on3)cn2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-11-6-16(23-27-11)22-18(24)13-9-21-17(10-19-13)20-8-12-4-5-14(25-2)15(7-12)26-3/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyRUSITFHHXVVSQW-UHFFFAOYSA-N
XLogP2.65
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109309877
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
CID 109270813
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
5-[(4-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109190552
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (CID 109285950) is 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is COc1ccc(CNc2cnc(C(=O)Nc3cc(C)on3)cn2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is RUSITFHHXVVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-11-6-16(23-27-11)22-18(24)13-9-21-17(10-19-13)20-8-12-4-5-14(25-2)15(7-12)26-3/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,22,23,24).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).