5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole

C21H22ClN5O — CID 171337997

IUPAC5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CC3CN(c4cnc(-c5ccc(Cl)cc5)cn4)CC3C2)on1
InChIInChI=1S/C21H22ClN5O/c1-14-6-19(28-25-14)13-26-9-16-11-27(12-17(16)10-26)21-8-23-20(7-24-21)15-2-4-18(22)5-3-15/h2-8,16-17H,9-13H2,1H3
InChIKeyUPSSGTPSXJYVOF-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.66
Rot. Bonds4

About 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole

5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 171337997) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID171337997
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CC3CN(c4cnc(-c5ccc(Cl)cc5)cn4)CC3C2)on1
InChIInChI=1S/C21H22ClN5O/c1-14-6-19(28-25-14)13-26-9-16-11-27(12-17(16)10-26)21-8-23-20(7-24-21)15-2-4-18(22)5-3-15/h2-8,16-17H,9-13H2,1H3
InChIKeyUPSSGTPSXJYVOF-UHFFFAOYSA-N
XLogP3.66
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole (CID 171337997) is 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CC3CN(c4cnc(-c5ccc(Cl)cc5)cn4)CC3C2)on1.
What is the InChIKey of 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is UPSSGTPSXJYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-14-6-19(28-25-14)13-26-9-16-11-27(12-17(16)10-26)21-8-23-20(7-24-21)15-2-4-18(22)5-3-15/h2-8,16-17H,9-13H2,1H3.
What are the key properties of 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole?
5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 395.89 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 171337997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).