N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide

C23H28N6O2 — CID 110092399

IUPACN,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCNc1cc(CN(C)C(=O)c2c(-c3ccc(C)cc3)noc2C)nc(C2CCCN2)n1
InChIInChI=1S/C23H28N6O2/c1-14-7-9-16(10-8-14)21-20(15(2)31-28-21)23(30)29(4)13-17-12-19(24-3)27-22(26-17)18-6-5-11-25-18/h7-10,12,18,25H,5-6,11,13H2,1-4H3,(H,24,26,27)
InChIKeyJZKAPTUUOPWIPF-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.49
Rot. Bonds6

About N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide

N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 110092399) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID110092399
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCNc1cc(CN(C)C(=O)c2c(-c3ccc(C)cc3)noc2C)nc(C2CCCN2)n1
InChIInChI=1S/C23H28N6O2/c1-14-7-9-16(10-8-14)21-20(15(2)31-28-21)23(30)29(4)13-17-12-19(24-3)27-22(26-17)18-6-5-11-25-18/h7-10,12,18,25H,5-6,11,13H2,1-4H3,(H,24,26,27)
InChIKeyJZKAPTUUOPWIPF-UHFFFAOYSA-N
XLogP3.49
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide (CID 110092399) is N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide is CNc1cc(CN(C)C(=O)c2c(-c3ccc(C)cc3)noc2C)nc(C2CCCN2)n1.
What is the InChIKey of N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JZKAPTUUOPWIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14-7-9-16(10-8-14)21-20(15(2)31-28-21)23(30)29(4)13-17-12-19(24-3)27-22(26-17)18-6-5-11-25-18/h7-10,12,18,25H,5-6,11,13H2,1-4H3,(H,24,26,27).
What are the key properties of N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110092399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).