2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one

C15H21N3O4 — CID 134077514

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(C(=O)CO)C2)CC1=O
InChIInChI=1S/C15H21N3O4/c1-10-12(11(2)22-16-10)6-18-9-15(5-13(18)20)3-4-17(8-15)14(21)7-19/h19H,3-9H2,1-2H3
InChIKeyXRGLDFWKAHCMLE-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.23
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 134077514) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID134077514
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(C(=O)CO)C2)CC1=O
InChIInChI=1S/C15H21N3O4/c1-10-12(11(2)22-16-10)6-18-9-15(5-13(18)20)3-4-17(8-15)14(21)7-19/h19H,3-9H2,1-2H3
InChIKeyXRGLDFWKAHCMLE-UHFFFAOYSA-N
XLogP0.23
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 134077514) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1noc(C)c1CN1CC2(CCN(C(=O)CO)C2)CC1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is XRGLDFWKAHCMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-12(11(2)22-16-10)6-18-9-15(5-13(18)20)3-4-17(8-15)14(21)7-19/h19H,3-9H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 307.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 134077514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).