5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one

C15H23N3O3 — CID 110201395

IUPAC5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1noc(C)c1C(=O)N1CCCCCCNC(=O)CC1
InChIInChI=1S/C15H23N3O3/c1-11-14(12(2)21-17-11)15(20)18-9-6-4-3-5-8-16-13(19)7-10-18/h3-10H2,1-2H3,(H,16,19)
InChIKeyNGCKDMWSLCWVLU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.81
Rot. Bonds1

About 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one

5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201395) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201395
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1noc(C)c1C(=O)N1CCCCCCNC(=O)CC1
InChIInChI=1S/C15H23N3O3/c1-11-14(12(2)21-17-11)15(20)18-9-6-4-3-5-8-16-13(19)7-10-18/h3-10H2,1-2H3,(H,16,19)
InChIKeyNGCKDMWSLCWVLU-UHFFFAOYSA-N
XLogP1.81
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201395) is 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one is Cc1noc(C)c1C(=O)N1CCCCCCNC(=O)CC1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is NGCKDMWSLCWVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-14(12(2)21-17-11)15(20)18-9-6-4-3-5-8-16-13(19)7-10-18/h3-10H2,1-2H3,(H,16,19).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 293.37 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).