5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

C25H26N6O3 — CID 118550303

IUPAC5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(COc3nc(C)cc(N[C@H](C)c4ccccc4)n3)on2)ccn1
InChIInChI=1S/C25H26N6O3/c1-16-11-19(9-10-26-16)14-27-24(32)22-13-21(34-31-22)15-33-25-28-17(2)12-23(30-25)29-18(3)20-7-5-4-6-8-20/h4-13,18H,14-15H2,1-3H3,(H,27,32)(H,28,29,30)/t18-/m1/s1
InChIKeyIRQKPNGUMNPHFZ-GOSISDBHSA-N
MW458.52 g/mol
LogP4.16
Rot. Bonds9

About 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 118550303) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID118550303
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(COc3nc(C)cc(N[C@H](C)c4ccccc4)n3)on2)ccn1
InChIInChI=1S/C25H26N6O3/c1-16-11-19(9-10-26-16)14-27-24(32)22-13-21(34-31-22)15-33-25-28-17(2)12-23(30-25)29-18(3)20-7-5-4-6-8-20/h4-13,18H,14-15H2,1-3H3,(H,27,32)(H,28,29,30)/t18-/m1/s1
InChIKeyIRQKPNGUMNPHFZ-GOSISDBHSA-N
XLogP4.16
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-methyl-6-(1-phenylethylamino)pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 123924697
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109327998
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118581
N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210757
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42094150
5-[(2,6-dimethylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25275496
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (CID 118550303) is 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CNC(=O)c2cc(COc3nc(C)cc(N[C@H](C)c4ccccc4)n3)on2)ccn1.
What is the InChIKey of 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IRQKPNGUMNPHFZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-16-11-19(9-10-26-16)14-27-24(32)22-13-21(34-31-22)15-33-25-28-17(2)12-23(30-25)29-18(3)20-7-5-4-6-8-20/h4-13,18H,14-15H2,1-3H3,(H,27,32)(H,28,29,30)/t18-/m1/s1.
What are the key properties of 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118550303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).