3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C16H23N3O3 — CID 2363815

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H23N3O3/c1-11-13(12(2)22-18-11)10-19-14(20)16(17-15(19)21)8-6-4-3-5-7-9-16/h3-10H2,1-2H3,(H,17,21)
InChIKeySZFZMASAKIVHAG-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.83
Rot. Bonds2

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 2363815) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID2363815
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H23N3O3/c1-11-13(12(2)22-18-11)10-19-14(20)16(17-15(19)21)8-6-4-3-5-7-9-16/h3-10H2,1-2H3,(H,17,21)
InChIKeySZFZMASAKIVHAG-UHFFFAOYSA-N
XLogP2.83
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 2363815) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is Cc1noc(C)c1CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is SZFZMASAKIVHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-13(12(2)22-18-11)10-19-14(20)16(17-15(19)21)8-6-4-3-5-7-9-16/h3-10H2,1-2H3,(H,17,21).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 305.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 2363815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).