10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

C15H21N3O3 — CID 106377160

IUPAC10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCc1nc(CN2CCC(=O)NC3(CCCC3)C2=O)oc1C
InChIInChI=1S/C15H21N3O3/c1-10-11(2)21-13(16-10)9-18-8-5-12(19)17-15(14(18)20)6-3-4-7-15/h3-9H2,1-2H3,(H,17,19)
InChIKeyUZTDNUSOZPWJCF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.45
Rot. Bonds2

About 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 106377160) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID106377160
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCc1nc(CN2CCC(=O)NC3(CCCC3)C2=O)oc1C
InChIInChI=1S/C15H21N3O3/c1-10-11(2)21-13(16-10)9-18-8-5-12(19)17-15(14(18)20)6-3-4-7-15/h3-9H2,1-2H3,(H,17,19)
InChIKeyUZTDNUSOZPWJCF-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 106377160) is 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is Cc1nc(CN2CCC(=O)NC3(CCCC3)C2=O)oc1C.
What is the InChIKey of 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is UZTDNUSOZPWJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-11(2)21-13(16-10)9-18-8-5-12(19)17-15(14(18)20)6-3-4-7-15/h3-9H2,1-2H3,(H,17,19).
What are the key properties of 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 291.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 106377160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).