5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine

C24H31N5O2 — CID 92593805

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCOc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1
InChIInChI=1S/C24H31N5O2/c1-6-30-19-11-9-18(10-12-19)15-29-13-7-8-21(29)22-20(14-25-24(26-22)28(4)5)23-16(2)17(3)27-31-23/h9-12,14,21H,6-8,13,15H2,1-5H3/t21-/m1/s1
InChIKeyZMFCCOTVTNRFLK-OAQYLSRUSA-N
MW421.55 g/mol
LogP4.55
Rot. Bonds7

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine

5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 92593805) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID92593805
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCOc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1
InChIInChI=1S/C24H31N5O2/c1-6-30-19-11-9-18(10-12-19)15-29-13-7-8-21(29)22-20(14-25-24(26-22)28(4)5)23-16(2)17(3)27-31-23/h9-12,14,21H,6-8,13,15H2,1-5H3/t21-/m1/s1
InChIKeyZMFCCOTVTNRFLK-OAQYLSRUSA-N
XLogP4.55
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine 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

1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92596998
2-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218512
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593692
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218620
1-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92596924
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92596918
4-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 92616640
1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593671
1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110218416
(3-chloro-4-fluorophenyl)-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 92597031
5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110266191
4-[(2S)-1-benzylpyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836542

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine (CID 92593805) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine is CCOc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is ZMFCCOTVTNRFLK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-6-30-19-11-9-18(10-12-19)15-29-13-7-8-21(29)22-20(14-25-24(26-22)28(4)5)23-16(2)17(3)27-31-23/h9-12,14,21H,6-8,13,15H2,1-5H3/t21-/m1/s1.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 421.55 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 92593805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).