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

C14H21N3O3 — CID 110201373

IUPAC5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1ncoc1C(=O)N1CCCCCCNC(=O)CC1
InChIInChI=1S/C14H21N3O3/c1-11-13(20-10-16-11)14(19)17-8-5-3-2-4-7-15-12(18)6-9-17/h10H,2-9H2,1H3,(H,15,18)
InChIKeyCINOPAPEIOYBGN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds1

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

5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201373) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201373
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1ncoc1C(=O)N1CCCCCCNC(=O)CC1
InChIInChI=1S/C14H21N3O3/c1-11-13(20-10-16-11)14(19)17-8-5-3-2-4-7-15-12(18)6-9-17/h10H,2-9H2,1H3,(H,15,18)
InChIKeyCINOPAPEIOYBGN-UHFFFAOYSA-N
XLogP1.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201373) is 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one is Cc1ncoc1C(=O)N1CCCCCCNC(=O)CC1.
What is the InChIKey of 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is CINOPAPEIOYBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-13(20-10-16-11)14(19)17-8-5-3-2-4-7-15-12(18)6-9-17/h10H,2-9H2,1H3,(H,15,18).
What are the key properties of 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 279.34 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).