3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide

C25H22N6O5 — CID 50912840

IUPAC3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide
SMILESCc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4cnccn4)c3)cc2)o1
InChIInChI=1S/C25H22N6O5/c1-15-29-30-24(34-15)16-3-5-18(6-4-16)35-19-11-17(23(32)28-22-14-26-8-9-27-22)12-20(13-19)36-21-7-10-31(2)25(21)33/h3-6,8-9,11-14,21H,7,10H2,1-2H3,(H,27,28,32)
InChIKeyMOOFTAOIAMOROR-UHFFFAOYSA-N
MW486.49 g/mol
LogP3.49
Rot. Bonds7

About 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide (PubChem CID 50912840) has the molecular formula C25H22N6O5 and a molecular weight of 486.49 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide
PubChem CID50912840
Molecular FormulaC25H22N6O5
Molecular Weight486.49 g/mol
Exact Mass486.17
IUPAC Name3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide
SMILESCc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4cnccn4)c3)cc2)o1
InChIInChI=1S/C25H22N6O5/c1-15-29-30-24(34-15)16-3-5-18(6-4-16)35-19-11-17(23(32)28-22-14-26-8-9-27-22)12-20(13-19)36-21-7-10-31(2)25(21)33/h3-6,8-9,11-14,21H,7,10H2,1-2H3,(H,27,28,32)
InChIKeyMOOFTAOIAMOROR-UHFFFAOYSA-N
XLogP3.49
TPSA132.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide (CID 50912840) is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide is Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4cnccn4)c3)cc2)o1.
What is the InChIKey of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide?
The InChIKey is MOOFTAOIAMOROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O5/c1-15-29-30-24(34-15)16-3-5-18(6-4-16)35-19-11-17(23(32)28-22-14-26-8-9-27-22)12-20(13-19)36-21-7-10-31(2)25(21)33/h3-6,8-9,11-14,21H,7,10H2,1-2H3,(H,27,28,32).
What are the key properties of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide?
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide has a molecular weight of 486.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 50912840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).