3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H21N3O3 — CID 64968359

IUPAC3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1cc(CN2C(=O)C3(CCCCC3)NC(=O)C2C)on1
InChIInChI=1S/C15H21N3O3/c1-10-8-12(21-17-10)9-18-11(2)13(19)16-15(14(18)20)6-4-3-5-7-15/h8,11H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyBFKUBERREKOYAV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.53
Rot. Bonds2

About 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64968359) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64968359
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1cc(CN2C(=O)C3(CCCCC3)NC(=O)C2C)on1
InChIInChI=1S/C15H21N3O3/c1-10-8-12(21-17-10)9-18-11(2)13(19)16-15(14(18)20)6-4-3-5-7-15/h8,11H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyBFKUBERREKOYAV-UHFFFAOYSA-N
XLogP1.53
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64968359) is 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is Cc1cc(CN2C(=O)C3(CCCCC3)NC(=O)C2C)on1.
What is the InChIKey of 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is BFKUBERREKOYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-8-12(21-17-10)9-18-11(2)13(19)16-15(14(18)20)6-4-3-5-7-15/h8,11H,3-7,9H2,1-2H3,(H,16,19).
What are the key properties of 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64968359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).