N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

C21H26N4O6 — CID 171318376

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCOC2(CN(C(=O)COc3ccccc3)CCO2)C1
InChIInChI=1S/C21H26N4O6/c1-15-19(16(2)31-23-15)22-20(27)25-9-11-30-21(14-25)13-24(8-10-29-21)18(26)12-28-17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,22,27)
InChIKeyOOBUBVWNTIYBCC-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.79
Rot. Bonds4

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 171318376) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID171318376
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCOC2(CN(C(=O)COc3ccccc3)CCO2)C1
InChIInChI=1S/C21H26N4O6/c1-15-19(16(2)31-23-15)22-20(27)25-9-11-30-21(14-25)13-24(8-10-29-21)18(26)12-28-17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,22,27)
InChIKeyOOBUBVWNTIYBCC-UHFFFAOYSA-N
XLogP1.79
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (CID 171318376) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is Cc1noc(C)c1NC(=O)N1CCOC2(CN(C(=O)COc3ccccc3)CCO2)C1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is OOBUBVWNTIYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-15-19(16(2)31-23-15)22-20(27)25-9-11-30-21(14-25)13-24(8-10-29-21)18(26)12-28-17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,22,27).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-10-(2-phenoxyacetyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 171318376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).