5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide

C19H26N4O3 — CID 129002082

IUPAC5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)N1CCCCC1c1ccc(C(=O)NCc2c(C)noc2C)n1C
InChIInChI=1S/C19H26N4O3/c1-12-15(13(2)26-21-12)11-20-19(25)18-9-8-16(22(18)4)17-7-5-6-10-23(17)14(3)24/h8-9,17H,5-7,10-11H2,1-4H3,(H,20,25)
InChIKeyMYSJMGAKNMDUSR-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.63
Rot. Bonds4

About 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide

5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 129002082) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID129002082
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)N1CCCCC1c1ccc(C(=O)NCc2c(C)noc2C)n1C
InChIInChI=1S/C19H26N4O3/c1-12-15(13(2)26-21-12)11-20-19(25)18-9-8-16(22(18)4)17-7-5-6-10-23(17)14(3)24/h8-9,17H,5-7,10-11H2,1-4H3,(H,20,25)
InChIKeyMYSJMGAKNMDUSR-UHFFFAOYSA-N
XLogP2.63
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide
CID 129002083
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95126946
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-1-carboxamide
CID 75519025
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]ethanone
CID 97313180
5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 129330093
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]propan-1-one
CID 97313178
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 47862645
3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 71936542

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide (CID 129002082) is 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide is CC(=O)N1CCCCC1c1ccc(C(=O)NCc2c(C)noc2C)n1C.
What is the InChIKey of 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MYSJMGAKNMDUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-15(13(2)26-21-12)11-20-19(25)18-9-8-16(22(18)4)17-7-5-6-10-23(17)14(3)24/h8-9,17H,5-7,10-11H2,1-4H3,(H,20,25).
What are the key properties of 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide?
5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 129002082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).