[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

C23H20N6O3 — CID 59472062

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H20N6O3/c24-20-19(22-28-27-21(32-22)16-4-2-1-3-5-16)26-18(14-25-20)15-6-8-17(9-7-15)23(30)29-10-12-31-13-11-29/h1-9,14H,10-13H2,(H2,24,25)
InChIKeyRNKNAKHEYIDSAR-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.92
Rot. Bonds4

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 59472062) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID59472062
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H20N6O3/c24-20-19(22-28-27-21(32-22)16-4-2-1-3-5-16)26-18(14-25-20)15-6-8-17(9-7-15)23(30)29-10-12-31-13-11-29/h1-9,14H,10-13H2,(H2,24,25)
InChIKeyRNKNAKHEYIDSAR-UHFFFAOYSA-N
XLogP2.92
TPSA120.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 59472062) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is RNKNAKHEYIDSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c24-20-19(22-28-27-21(32-22)16-4-2-1-3-5-16)26-18(14-25-20)15-6-8-17(9-7-15)23(30)29-10-12-31-13-11-29/h1-9,14H,10-13H2,(H2,24,25).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 428.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59472062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).