2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione

C21H17ClN4O4 — CID 139486524

IUPAC2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2cccc(=O)n2ccn1Cc1nc(C2COC(c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C21H17ClN4O4/c22-15-6-4-13(5-7-15)17-10-14(12-29-17)20-23-18(30-24-20)11-25-8-9-26-16(21(25)28)2-1-3-19(26)27/h1-9,14,17H,10-12H2
InChIKeyZNOZSVVROSWSRZ-UHFFFAOYSA-N
MW424.84 g/mol
LogP2.79
Rot. Bonds4

About 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione

2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 139486524) has the molecular formula C21H17ClN4O4 and a molecular weight of 424.84 g/mol. Its IUPAC name is 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
PubChem CID139486524
Molecular FormulaC21H17ClN4O4
Molecular Weight424.84 g/mol
Exact Mass424.09
IUPAC Name2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2cccc(=O)n2ccn1Cc1nc(C2COC(c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C21H17ClN4O4/c22-15-6-4-13(5-7-15)17-10-14(12-29-17)20-23-18(30-24-20)11-25-8-9-26-16(21(25)28)2-1-3-19(26)27/h1-9,14,17H,10-12H2
InChIKeyZNOZSVVROSWSRZ-UHFFFAOYSA-N
XLogP2.79
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(chloromethyl)-3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
CID 176544804
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 139486601
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(dimethylamino)-5-methylimidazo[5,1-f][1,2,4]triazin-4-one
CID 139486454
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-deuterio-7-methylpurin-6-one
CID 139486536
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(difluoromethyl)-7-methylpurin-6-one
CID 139486507
2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 139486512
7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-hydroxy-1,3-dimethyl-2H-purin-6-one
CID 139494951
5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-c]pyridine-7-carbonitrile
CID 139494952
7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione
CID 155883549
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8H-quinazoline-4,7-dione
CID 157085114
5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 157095916
7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 139486450

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione (CID 139486524) is 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione is O=c1c2cccc(=O)n2ccn1Cc1nc(C2COC(c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is ZNOZSVVROSWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4/c22-15-6-4-13(5-7-15)17-10-14(12-29-17)20-23-18(30-24-20)11-25-8-9-26-16(21(25)28)2-1-3-19(26)27/h1-9,14,17H,10-12H2.
What are the key properties of 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 424.84 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 139486524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).