3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C25H18N4O4 — CID 58045247

IUPAC3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2-c2ccco2)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C25H18N4O4/c1-31-19-6-3-2-5-17(19)24-21-22(20-7-4-13-32-20)26-27-23(21)25(30)29(24)16-10-8-15(9-11-16)18-12-14-33-28-18/h2-14,24H,1H3,(H,26,27)
InChIKeyPSFOCTCLFKQZCK-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.08
Rot. Bonds5

About 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58045247) has the molecular formula C25H18N4O4 and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58045247
Molecular FormulaC25H18N4O4
Molecular Weight438.44 g/mol
Exact Mass438.13
IUPAC Name3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2-c2ccco2)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C25H18N4O4/c1-31-19-6-3-2-5-17(19)24-21-22(20-7-4-13-32-20)26-27-23(21)25(30)29(24)16-10-8-15(9-11-16)18-12-14-33-28-18/h2-14,24H,1H3,(H,26,27)
InChIKeyPSFOCTCLFKQZCK-UHFFFAOYSA-N
XLogP5.08
TPSA97.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58045247) is 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2-c2ccco2)C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is PSFOCTCLFKQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O4/c1-31-19-6-3-2-5-17(19)24-21-22(20-7-4-13-32-20)26-27-23(21)25(30)29(24)16-10-8-15(9-11-16)18-12-14-33-28-18/h2-14,24H,1H3,(H,26,27).
What are the key properties of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 438.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58045247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).