2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide

C20H30N4O2 — CID 78863183

IUPAC2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NC3CCN(CC(C)C)CC3)c2C)no1
InChIInChI=1S/C20H30N4O2/c1-13(2)12-23-8-6-17(7-9-23)21-20(25)18-10-14(3)24(16(18)5)19-11-15(4)26-22-19/h10-11,13,17H,6-9,12H2,1-5H3,(H,21,25)
InChIKeyJKIMMRANTXLAQI-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.24
Rot. Bonds5

About 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide (PubChem CID 78863183) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide
PubChem CID78863183
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NC3CCN(CC(C)C)CC3)c2C)no1
InChIInChI=1S/C20H30N4O2/c1-13(2)12-23-8-6-17(7-9-23)21-20(25)18-10-14(3)24(16(18)5)19-11-15(4)26-22-19/h10-11,13,17H,6-9,12H2,1-5H3,(H,21,25)
InChIKeyJKIMMRANTXLAQI-UHFFFAOYSA-N
XLogP3.24
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-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

2,5-dimethyl-N-(2-methyl-3-morpholin-4-ylpropyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 136527092
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide
CID 154765295
2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86930292
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 120650270
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78870882
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]pyrrole-3-carboxamide
CID 78834719
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490318
N-[2-(4-aminophenyl)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 119548480
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrole-3-carboxamide
CID 112829749
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
CID 119461980
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 136554741

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide (CID 78863183) is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)NC3CCN(CC(C)C)CC3)c2C)no1.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is JKIMMRANTXLAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)12-23-8-6-17(7-9-23)21-20(25)18-10-14(3)24(16(18)5)19-11-15(4)26-22-19/h10-11,13,17H,6-9,12H2,1-5H3,(H,21,25).
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide?
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 78863183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).