N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide

C17H20F3N5O4 — CID 131682697

IUPACN-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1ccon1)C1CC2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2
InChIInChI=1S/C17H20F3N5O4/c18-17(19,20)13-7-21-14(23-13)8-25-2-4-28-16(9-25)5-12(27-10-16)15(26)22-6-11-1-3-29-24-11/h1,3,7,12H,2,4-6,8-10H2,(H,21,23)(H,22,26)
InChIKeyOBDURRJSVBULNK-UHFFFAOYSA-N
MW415.37 g/mol
LogP1.09
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide

N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 131682697) has the molecular formula C17H20F3N5O4 and a molecular weight of 415.37 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID131682697
Molecular FormulaC17H20F3N5O4
Molecular Weight415.37 g/mol
Exact Mass415.15
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1ccon1)C1CC2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2
InChIInChI=1S/C17H20F3N5O4/c18-17(19,20)13-7-21-14(23-13)8-25-2-4-28-16(9-25)5-12(27-10-16)15(26)22-6-11-1-3-29-24-11/h1,3,7,12H,2,4-6,8-10H2,(H,21,23)(H,22,26)
InChIKeyOBDURRJSVBULNK-UHFFFAOYSA-N
XLogP1.09
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide (CID 131682697) is N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide is O=C(NCc1ccon1)C1CC2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is OBDURRJSVBULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O4/c18-17(19,20)13-7-21-14(23-13)8-25-2-4-28-16(9-25)5-12(27-10-16)15(26)22-6-11-1-3-29-24-11/h1,3,7,12H,2,4-6,8-10H2,(H,21,23)(H,22,26).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 415.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 131682697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).