N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide

C26H30FN7O3 — CID 91398370

About N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide (PubChem CID 91398370) has the molecular formula C26H30FN7O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide
• PubChem CID: 91398370
• Molecular Formula: C26H30FN7O3
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.24
• IUPAC Name: N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(N2CCC(C)C2)oc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1
• InChI: InChI=1S/C26H30FN7O3/c1-17-9-10-34(16-17)26-29-18(2)23(37-26)24(35)30-19-7-8-22(28-15-19)32-11-13-33(14-12-32)25(36)31-21-6-4-3-5-20(21)27/h3-8,15,17H,9-14,16H2,1-2H3,(H,30,35)(H,31,36)
• InChIKey: ZULSACBWROQQTN-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide (CID 91398370) is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide is Cc1nc(N2CCC(C)C2)oc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1.

What is the InChIKey of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide?

The InChIKey is ZULSACBWROQQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3/c1-17-9-10-34(16-17)26-29-18(2)23(37-26)24(35)30-19-7-8-22(28-15-19)32-11-13-33(14-12-32)25(36)31-21-6-4-3-5-20(21)27/h3-8,15,17H,9-14,16H2,1-2H3,(H,30,35)(H,31,36).

What are the key properties of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide?

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 507.57 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91398370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).