5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C20H17N5O2 — CID 59472374

IUPAC5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCOCc1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C20H17N5O2/c1-26-12-14-9-5-6-10-15(14)16-11-22-18(21)17(23-16)20-25-24-19(27-20)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,21,22)
InChIKeyYGEILCUPFMTFLU-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.59
Rot. Bonds5

About 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 59472374) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID59472374
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCOCc1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C20H17N5O2/c1-26-12-14-9-5-6-10-15(14)16-11-22-18(21)17(23-16)20-25-24-19(27-20)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,21,22)
InChIKeyYGEILCUPFMTFLU-UHFFFAOYSA-N
XLogP3.59
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 59472374) is 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is COCc1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The InChIKey is YGEILCUPFMTFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-26-12-14-9-5-6-10-15(14)16-11-22-18(21)17(23-16)20-25-24-19(27-20)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,21,22).
What are the key properties of 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 59472374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).