9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H23N3O4 — CID 131948044

IUPAC9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC1=NOC(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1
InChIInChI=1S/C15H23N3O4/c1-3-11-8-12(22-16-11)14(20)18-6-4-15(5-7-18)10-17(2)13(19)9-21-15/h12H,3-10H2,1-2H3
InChIKeyAJFJNNLVSMCYRL-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.39
Rot. Bonds2

About 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131948044) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131948044
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC1=NOC(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1
InChIInChI=1S/C15H23N3O4/c1-3-11-8-12(22-16-11)14(20)18-6-4-15(5-7-18)10-17(2)13(19)9-21-15/h12H,3-10H2,1-2H3
InChIKeyAJFJNNLVSMCYRL-UHFFFAOYSA-N
XLogP0.39
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131948044) is 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCC1=NOC(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1.
What is the InChIKey of 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AJFJNNLVSMCYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-11-8-12(22-16-11)14(20)18-6-4-15(5-7-18)10-17(2)13(19)9-21-15/h12H,3-10H2,1-2H3.
What are the key properties of 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 309.37 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131948044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).