8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C16H23N3O4 — CID 72924565

IUPAC8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1noc(C)c1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C16H23N3O4/c1-10-12(11(2)23-17-10)9-19-6-4-16(5-7-19)13(15(21)22)8-14(20)18(16)3/h13H,4-9H2,1-3H3,(H,21,22)
InChIKeyNVXYCBNTYXKEQF-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.19
Rot. Bonds3

About 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72924565) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72924565
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1noc(C)c1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C16H23N3O4/c1-10-12(11(2)23-17-10)9-19-6-4-16(5-7-19)13(15(21)22)8-14(20)18(16)3/h13H,4-9H2,1-3H3,(H,21,22)
InChIKeyNVXYCBNTYXKEQF-UHFFFAOYSA-N
XLogP1.19
TPSA86.88 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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72924565) is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1noc(C)c1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C.
What is the InChIKey of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is NVXYCBNTYXKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10-12(11(2)23-17-10)9-19-6-4-16(5-7-19)13(15(21)22)8-14(20)18(16)3/h13H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72924565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).