1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

C18H28N4O3 — CID 110246518

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(C(=O)NCCN2CCCCC2)C1
InChIInChI=1S/C18H28N4O3/c1-13-16(14(2)25-20-13)18(24)22-10-6-15(12-22)17(23)19-7-11-21-8-4-3-5-9-21/h15H,3-12H2,1-2H3,(H,19,23)
InChIKeyAGWBOMVPIPHAIG-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.36
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 110246518) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID110246518
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(C(=O)NCCN2CCCCC2)C1
InChIInChI=1S/C18H28N4O3/c1-13-16(14(2)25-20-13)18(24)22-10-6-15(12-22)17(23)19-7-11-21-8-4-3-5-9-21/h15H,3-12H2,1-2H3,(H,19,23)
InChIKeyAGWBOMVPIPHAIG-UHFFFAOYSA-N
XLogP1.36
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110246506
N-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446266
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 119480892
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 42199059
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 110246518) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is Cc1noc(C)c1C(=O)N1CCC(C(=O)NCCN2CCCCC2)C1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is AGWBOMVPIPHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-16(14(2)25-20-13)18(24)22-10-6-15(12-22)17(23)19-7-11-21-8-4-3-5-9-21/h15H,3-12H2,1-2H3,(H,19,23).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).