5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

C20H30N4O4 — CID 110201698

IUPAC5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCc1ncoc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1
InChIInChI=1S/C20H30N4O4/c1-15-18(28-14-22-15)20(27)24-11-6-16(7-12-24)19(26)23-10-5-3-2-4-9-21-17(25)8-13-23/h14,16H,2-13H2,1H3,(H,21,25)
InChIKeyRMLURICHIJYQEC-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.74
Rot. Bonds2

About 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201698) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201698
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCc1ncoc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1
InChIInChI=1S/C20H30N4O4/c1-15-18(28-14-22-15)20(27)24-11-6-16(7-12-24)19(26)23-10-5-3-2-4-9-21-17(25)8-13-23/h14,16H,2-13H2,1H3,(H,21,25)
InChIKeyRMLURICHIJYQEC-UHFFFAOYSA-N
XLogP1.74
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201698) is 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is Cc1ncoc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1.
What is the InChIKey of 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is RMLURICHIJYQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-15-18(28-14-22-15)20(27)24-11-6-16(7-12-24)19(26)23-10-5-3-2-4-9-21-17(25)8-13-23/h14,16H,2-13H2,1H3,(H,21,25).
What are the key properties of 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 390.48 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).