N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one

C42H50N8O7 — CID 160651738

About N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one (PubChem CID 160651738) has the molecular formula C42H50N8O7 and a molecular weight of 778.91 g/mol. Its IUPAC name is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one.

Molecular Properties

• Compound Name: N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one
• PubChem CID: 160651738
• Molecular Formula: C42H50N8O7
• Molecular Weight: 778.91 g/mol
• Exact Mass: 778.38
• IUPAC Name: N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one
• SMILES: Cc1noc(C)c1-c1ccc(NC2CC(O)C2)c(NC(=O)C2CCCC(=O)N2)c1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CC(O)C1
• InChI: InChI=1S/C21H26N4O4.C21H24N4O3/c1-11-20(12(2)29-25-11)13-6-7-16(22-14-9-15(26)10-14)18(8-13)24-21(28)17-4-3-5-19(27)23-17;1-11-20(12(2)28-24-11)13-6-7-18-17(8-13)23-21(16-4-3-5-19(27)22-16)25(18)14-9-15(26)10-14/h6-8,14-15,17,22,26H,3-5,9-10H2,1-2H3,(H,23,27)(H,24,28);6-8,14-16,26H,3-5,9-10H2,1-2H3,(H,22,27)/t;14?,15?,16-/m.0/s1
• InChIKey: RKMZUVOCWFZRMU-SDTLNOQVSA-N
• XLogP: 5.85
• TPSA: 209.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	778.91
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one?

The IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one (CID 160651738) is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one.

What is the SMILES notation for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one?

The canonical SMILES for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one is Cc1noc(C)c1-c1ccc(NC2CC(O)C2)c(NC(=O)C2CCCC(=O)N2)c1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CC(O)C1.

What is the InChIKey of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one?

The InChIKey is RKMZUVOCWFZRMU-SDTLNOQVSA-N. The full InChI is InChI=1S/C21H26N4O4.C21H24N4O3/c1-11-20(12(2)29-25-11)13-6-7-16(22-14-9-15(26)10-14)18(8-13)24-21(28)17-4-3-5-19(27)23-17;1-11-20(12(2)28-24-11)13-6-7-18-17(8-13)23-21(16-4-3-5-19(27)22-16)25(18)14-9-15(26)10-14/h6-8,14-15,17,22,26H,3-5,9-10H2,1-2H3,(H,23,27)(H,24,28);6-8,14-16,26H,3-5,9-10H2,1-2H3,(H,22,27)/t;14?,15?,16-/m.0/s1.

What are the key properties of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one?

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one has a molecular weight of 778.91 g/mol, XLogP of 5.85, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3-hydroxycyclobutyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one is sourced from PubChem (CID 160651738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).