N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide

C28H32ClN5O3 — CID 91045490

About N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide

N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide (PubChem CID 91045490) has the molecular formula C28H32ClN5O3 and a molecular weight of 522.05 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 91045490
• Molecular Formula: C28H32ClN5O3
• Molecular Weight: 522.05 g/mol
• Exact Mass: 521.22
• IUPAC Name: N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide
• SMILES: Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)c2ccno2)cc1Cl
• InChI: InChI=1S/C28H32ClN5O3/c1-18-5-6-23(13-24(18)29)34(27(35)25-8-10-31-37-25)12-4-11-32-14-21-16-33(17-22(21)15-32)28(36)26-19(2)7-9-30-20(26)3/h5-10,13,21-22H,4,11-12,14-17H2,1-3H3
• InChIKey: SGKGAIPPJSONIB-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 82.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.05
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide (CID 91045490) is N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide is Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)c2ccno2)cc1Cl.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide?

The InChIKey is SGKGAIPPJSONIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O3/c1-18-5-6-23(13-24(18)29)34(27(35)25-8-10-31-37-25)12-4-11-32-14-21-16-33(17-22(21)15-32)28(36)26-19(2)7-9-30-20(26)3/h5-10,13,21-22H,4,11-12,14-17H2,1-3H3.

What are the key properties of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide?

N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide has a molecular weight of 522.05 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91045490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).