5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one

C17H27N3O3 — CID 110201433

IUPAC5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one
SMILESCc1noc(C)c1CCC(=O)N1CCCCCCNC(=O)CC1
InChIInChI=1S/C17H27N3O3/c1-13-15(14(2)23-19-13)7-8-17(22)20-11-6-4-3-5-10-18-16(21)9-12-20/h3-12H2,1-2H3,(H,18,21)
InChIKeyWJQPOILGDSRVER-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.13
Rot. Bonds3

About 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one

5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201433) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one
PubChem CID110201433
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one
SMILESCc1noc(C)c1CCC(=O)N1CCCCCCNC(=O)CC1
InChIInChI=1S/C17H27N3O3/c1-13-15(14(2)23-19-13)7-8-17(22)20-11-6-4-3-5-10-18-16(21)9-12-20/h3-12H2,1-2H3,(H,18,21)
InChIKeyWJQPOILGDSRVER-UHFFFAOYSA-N
XLogP2.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one (CID 110201433) is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one is Cc1noc(C)c1CCC(=O)N1CCCCCCNC(=O)CC1.
What is the InChIKey of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one?
The InChIKey is WJQPOILGDSRVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13-15(14(2)23-19-13)7-8-17(22)20-11-6-4-3-5-10-18-16(21)9-12-20/h3-12H2,1-2H3,(H,18,21).
What are the key properties of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one?
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one has a molecular weight of 321.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).