5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

C23H20N4O2 — CID 51495923

IUPAC5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccccc1[C@H](NC(=O)c1c(-c2ccncc2)noc1C)c1ccncc1
InChIInChI=1S/C23H20N4O2/c1-15-5-3-4-6-19(15)21(17-7-11-24-12-8-17)26-23(28)20-16(2)29-27-22(20)18-9-13-25-14-10-18/h3-14,21H,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyXZNINIRKYMEGQV-OAQYLSRUSA-N
MW384.44 g/mol
LogP4.27
Rot. Bonds5

About 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 51495923) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID51495923
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccccc1[C@H](NC(=O)c1c(-c2ccncc2)noc1C)c1ccncc1
InChIInChI=1S/C23H20N4O2/c1-15-5-3-4-6-19(15)21(17-7-11-24-12-8-17)26-23(28)20-16(2)29-27-22(20)18-9-13-25-14-10-18/h3-14,21H,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyXZNINIRKYMEGQV-OAQYLSRUSA-N
XLogP4.27
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-N-[phenyl(pyridin-3-yl)methyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46963251
5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
CID 16677418
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498087
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
CID 99947108
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 50976747
4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 97187022

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 51495923) is 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is Cc1ccccc1[C@H](NC(=O)c1c(-c2ccncc2)noc1C)c1ccncc1.
What is the InChIKey of 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is XZNINIRKYMEGQV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-5-3-4-6-19(15)21(17-7-11-24-12-8-17)26-23(28)20-16(2)29-27-22(20)18-9-13-25-14-10-18/h3-14,21H,1-2H3,(H,26,28)/t21-/m1/s1.
What are the key properties of 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51495923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).