N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride

C16H25ClN4O2 — CID 120650270

IUPACN-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(C)n(-c2cc(C)on2)c1C.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-6-17-10(2)9-18-16(21)14-7-11(3)20(13(14)5)15-8-12(4)22-19-15;/h7-8,10,17H,6,9H2,1-5H3,(H,18,21);1H/t10-;/m1./s1
InChIKeyVXUUAZCKJYSECS-HNCPQSOCSA-N
MW340.86 g/mol
LogP2.54
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride (PubChem CID 120650270) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
PubChem CID120650270
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(C)n(-c2cc(C)on2)c1C.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-6-17-10(2)9-18-16(21)14-7-11(3)20(13(14)5)15-8-12(4)22-19-15;/h7-8,10,17H,6,9H2,1-5H3,(H,18,21);1H/t10-;/m1./s1
InChIKeyVXUUAZCKJYSECS-HNCPQSOCSA-N
XLogP2.54
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
2,5-dimethyl-N-(2-methyl-3-morpholin-4-ylpropyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 136527092
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78876617
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
CID 119461980
2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86930292
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120654873
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
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78842927
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78870882

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride (CID 120650270) is N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cc(C)n(-c2cc(C)on2)c1C.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride?
The InChIKey is VXUUAZCKJYSECS-HNCPQSOCSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-6-17-10(2)9-18-16(21)14-7-11(3)20(13(14)5)15-8-12(4)22-19-15;/h7-8,10,17H,6,9H2,1-5H3,(H,18,21);1H/t10-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120650270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).