3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide

C26H28N4O3 — CID 69362988

IUPAC3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CC2CN(c3cccc(CCC(N)=O)c3)CC2C1
InChIInChI=1S/C26H28N4O3/c1-17-24(25(28-33-17)19-7-3-2-4-8-19)26(32)30-15-20-13-29(14-21(20)16-30)22-9-5-6-18(12-22)10-11-23(27)31/h2-9,12,20-21H,10-11,13-16H2,1H3,(H2,27,31)
InChIKeyMGNSXXRQUKQNFN-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.28
Rot. Bonds6

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

3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide (PubChem CID 69362988) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide
PubChem CID69362988
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CC2CN(c3cccc(CCC(N)=O)c3)CC2C1
InChIInChI=1S/C26H28N4O3/c1-17-24(25(28-33-17)19-7-3-2-4-8-19)26(32)30-15-20-13-29(14-21(20)16-30)22-9-5-6-18(12-22)10-11-23(27)31/h2-9,12,20-21H,10-11,13-16H2,1H3,(H2,27,31)
InChIKeyMGNSXXRQUKQNFN-UHFFFAOYSA-N
XLogP3.28
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide?
The IUPAC name of 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide (CID 69362988) is 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide.
What is the SMILES notation for 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide?
The canonical SMILES for 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide is Cc1onc(-c2ccccc2)c1C(=O)N1CC2CN(c3cccc(CCC(N)=O)c3)CC2C1.
What is the InChIKey of 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide?
The InChIKey is MGNSXXRQUKQNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-17-24(25(28-33-17)19-7-3-2-4-8-19)26(32)30-15-20-13-29(14-21(20)16-30)22-9-5-6-18(12-22)10-11-23(27)31/h2-9,12,20-21H,10-11,13-16H2,1H3,(H2,27,31).
What are the key properties of 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide?
3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide has a molecular weight of 444.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propanamide is sourced from PubChem (CID 69362988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).