N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide

C26H25ClN6O4 — CID 118686067

About N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide

N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide (PubChem CID 118686067) has the molecular formula C26H25ClN6O4 and a molecular weight of 520.98 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide
• PubChem CID: 118686067
• Molecular Formula: C26H25ClN6O4
• Molecular Weight: 520.98 g/mol
• Exact Mass: 520.16
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide
• SMILES: O=C(Nc1cnc(Nc2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCNCC1
• InChI: InChI=1S/C26H25ClN6O4/c27-19-3-1-17(2-4-19)16-33-25(35)22(31-24(34)18-9-12-28-13-10-18)15-29-26(33)30-20-5-7-21(8-6-20)37-23-11-14-36-32-23/h1-8,11,14-15,18,28H,9-10,12-13,16H2,(H,29,30)(H,31,34)
• InChIKey: HRLUEVHANQNNNU-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 123.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.98
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide?

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide (CID 118686067) is N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide is O=C(Nc1cnc(Nc2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCNCC1.

What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide?

The InChIKey is HRLUEVHANQNNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O4/c27-19-3-1-17(2-4-19)16-33-25(35)22(31-24(34)18-9-12-28-13-10-18)15-29-26(33)30-20-5-7-21(8-6-20)37-23-11-14-36-32-23/h1-8,11,14-15,18,28H,9-10,12-13,16H2,(H,29,30)(H,31,34).

What are the key properties of N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide?

N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide has a molecular weight of 520.98 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxopyrimidin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 118686067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).