4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

C22H20N6O2 — CID 59471897

IUPAC4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C22H20N6O2/c1-13-6-4-5-7-16(13)20-26-27-21(30-20)18-19(23)24-12-17(25-18)14-8-10-15(11-9-14)22(29)28(2)3/h4-12H,1-3H3,(H2,23,24)
InChIKeyMFGUNUKQACIBJC-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.45
Rot. Bonds4

About 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59471897) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59471897
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C22H20N6O2/c1-13-6-4-5-7-16(13)20-26-27-21(30-20)18-19(23)24-12-17(25-18)14-8-10-15(11-9-14)22(29)28(2)3/h4-12H,1-3H3,(H2,23,24)
InChIKeyMFGUNUKQACIBJC-UHFFFAOYSA-N
XLogP3.45
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59471897) is 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is Cc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.
What is the InChIKey of 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is MFGUNUKQACIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-13-6-4-5-7-16(13)20-26-27-21(30-20)18-19(23)24-12-17(25-18)14-8-10-15(11-9-14)22(29)28(2)3/h4-12H,1-3H3,(H2,23,24).
What are the key properties of 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 400.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59471897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).