N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C20H24N4O3 — CID 171631075

IUPACN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NC(C)C(=O)N3CCC4(CC3)CC4)cc2)no1
InChIInChI=1S/C20H24N4O3/c1-13(19(26)24-11-9-20(7-8-20)10-12-24)21-18(25)16-5-3-15(4-6-16)17-22-14(2)27-23-17/h3-6,13H,7-12H2,1-2H3,(H,21,25)
InChIKeyKFFQAEPYJWONJS-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.57
Rot. Bonds4

About N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 171631075) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID171631075
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NC(C)C(=O)N3CCC4(CC3)CC4)cc2)no1
InChIInChI=1S/C20H24N4O3/c1-13(19(26)24-11-9-20(7-8-20)10-12-24)21-18(25)16-5-3-15(4-6-16)17-22-14(2)27-23-17/h3-6,13H,7-12H2,1-2H3,(H,21,25)
InChIKeyKFFQAEPYJWONJS-UHFFFAOYSA-N
XLogP2.57
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 171631157
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 171631270
N-[1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53041884
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-cyclopropylbenzamide
CID 171631480
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
CID 90164454
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide
CID 171631173
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
CID 174373909
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridine-3-carboxamide
CID 171631062
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide
CID 122694001
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
CID 171631065
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 171631075) is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)NC(C)C(=O)N3CCC4(CC3)CC4)cc2)no1.
What is the InChIKey of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is KFFQAEPYJWONJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(19(26)24-11-9-20(7-8-20)10-12-24)21-18(25)16-5-3-15(4-6-16)17-22-14(2)27-23-17/h3-6,13H,7-12H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.57, 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]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 171631075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).