N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide

C19H20F2N4O3 — CID 171631559

IUPACN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(-c2cc(F)ccc2F)n1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H20F2N4O3/c1-11(18(27)25-8-6-19(4-5-19)7-9-25)22-16(26)15-23-17(28-24-15)13-10-12(20)2-3-14(13)21/h2-3,10-11H,4-9H2,1H3,(H,22,26)
InChIKeyAUIKLGOZPFORQF-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide

N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 171631559) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID171631559
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(-c2cc(F)ccc2F)n1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H20F2N4O3/c1-11(18(27)25-8-6-19(4-5-19)7-9-25)22-16(26)15-23-17(28-24-15)13-10-12(20)2-3-14(13)21/h2-3,10-11H,4-9H2,1H3,(H,22,26)
InChIKeyAUIKLGOZPFORQF-UHFFFAOYSA-N
XLogP2.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide (CID 171631559) is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide is CC(NC(=O)c1noc(-c2cc(F)ccc2F)n1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is AUIKLGOZPFORQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-11(18(27)25-8-6-19(4-5-19)7-9-25)22-16(26)15-23-17(28-24-15)13-10-12(20)2-3-14(13)21/h2-3,10-11H,4-9H2,1H3,(H,22,26).
What are the key properties of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 171631559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).