N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C19H23FN4O3 — CID 71836194

IUPACN-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C2CN(C(=O)Nc3ccc(C)c(F)c3)CC23CCOCC3)n1
InChIInChI=1S/C19H23FN4O3/c1-12-3-4-14(9-16(12)20)22-18(25)24-10-15(17-21-13(2)23-27-17)19(11-24)5-7-26-8-6-19/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,22,25)
InChIKeyAGVISUIFHCOXMF-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.25
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 71836194) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID71836194
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C2CN(C(=O)Nc3ccc(C)c(F)c3)CC23CCOCC3)n1
InChIInChI=1S/C19H23FN4O3/c1-12-3-4-14(9-16(12)20)22-18(25)24-10-15(17-21-13(2)23-27-17)19(11-24)5-7-26-8-6-19/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,22,25)
InChIKeyAGVISUIFHCOXMF-UHFFFAOYSA-N
XLogP3.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 71836194) is N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is Cc1noc(C2CN(C(=O)Nc3ccc(C)c(F)c3)CC23CCOCC3)n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is AGVISUIFHCOXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12-3-4-14(9-16(12)20)22-18(25)24-10-15(17-21-13(2)23-27-17)19(11-24)5-7-26-8-6-19/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71836194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).