2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119461980

IUPAC2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(-n2c(C)cc(C(=O)NCC3CCCNC3)c2C)no1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11-7-15(13(3)21(11)16-8-12(2)23-20-16)17(22)19-10-14-5-4-6-18-9-14;/h7-8,14,18H,4-6,9-10H2,1-3H3,(H,19,22);1H
InChIKeyKXSLDPWGPOHHIF-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.54
Rot. Bonds4

About 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride (PubChem CID 119461980) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
PubChem CID119461980
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(-n2c(C)cc(C(=O)NCC3CCCNC3)c2C)no1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11-7-15(13(3)21(11)16-8-12(2)23-20-16)17(22)19-10-14-5-4-6-18-9-14;/h7-8,14,18H,4-6,9-10H2,1-3H3,(H,19,22);1H
InChIKeyKXSLDPWGPOHHIF-UHFFFAOYSA-N
XLogP2.54
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride 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-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78870882
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 120650270
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119442680
2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86930292
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78871532
6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119462057
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride (CID 119461980) is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride is Cc1cc(-n2c(C)cc(C(=O)NCC3CCCNC3)c2C)no1.Cl.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride?
The InChIKey is KXSLDPWGPOHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-11-7-15(13(3)21(11)16-8-12(2)23-20-16)17(22)19-10-14-5-4-6-18-9-14;/h7-8,14,18H,4-6,9-10H2,1-3H3,(H,19,22);1H.
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride?
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 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-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119461980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).