1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea

C15H23N5O3 — CID 155870312

IUPAC1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea
SMILESCc1noc(CC(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)n1
InChIInChI=1S/C15H23N5O3/c1-10-16-12(23-18-10)6-13(21)20-5-4-15(9-20)7-11(8-15)17-14(22)19(2)3/h11H,4-9H2,1-3H3,(H,17,22)
InChIKeyQSMNQTHCIRLELG-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.57
Rot. Bonds3

About 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea

1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea (PubChem CID 155870312) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea
PubChem CID155870312
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea
SMILESCc1noc(CC(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)n1
InChIInChI=1S/C15H23N5O3/c1-10-16-12(23-18-10)6-13(21)20-5-4-15(9-20)7-11(8-15)17-14(22)19(2)3/h11H,4-9H2,1-3H3,(H,17,22)
InChIKeyQSMNQTHCIRLELG-UHFFFAOYSA-N
XLogP0.57
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea (CID 155870312) is 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea is Cc1noc(CC(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)n1.
What is the InChIKey of 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea?
The InChIKey is QSMNQTHCIRLELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-16-12(23-18-10)6-13(21)20-5-4-15(9-20)7-11(8-15)17-14(22)19(2)3/h11H,4-9H2,1-3H3,(H,17,22).
What are the key properties of 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea?
1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea has a molecular weight of 321.38 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea is sourced from PubChem (CID 155870312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).