N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

C24H27N5O4 — CID 92637184

About N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92637184) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
• PubChem CID: 92637184
• Molecular Formula: C24H27N5O4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.21
• IUPAC Name: N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
• SMILES: CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)no1
• InChI: InChI=1S/C24H27N5O4/c1-4-8-16-13-19(28-33-16)24(31)29-12-7-10-20(29)22-25-14-17(15(2)26-22)23(30)27-18-9-5-6-11-21(18)32-3/h5-6,9,11,13-14,20H,4,7-8,10,12H2,1-3H3,(H,27,30)/t20-/m1/s1
• InChIKey: KASMAFXVHYNATP-HXUWFJFHSA-N
• XLogP: 3.96
• TPSA: 110.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (CID 92637184) is N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)no1.

What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?

The InChIKey is KASMAFXVHYNATP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-4-8-16-13-19(28-33-16)24(31)29-12-7-10-20(29)22-25-14-17(15(2)26-22)23(30)27-18-9-5-6-11-21(18)32-3/h5-6,9,11,13-14,20H,4,7-8,10,12H2,1-3H3,(H,27,30)/t20-/m1/s1.

What are the key properties of N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?

N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92637184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).