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

C20H24N4O3 — CID 171631157

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N[C@H](C)C(=O)N3CCC4(CC3)CC4)cc2)n1
InChIInChI=1S/C20H24N4O3/c1-13(19(26)24-11-9-20(7-8-20)10-12-24)21-17(25)15-3-5-16(6-4-15)18-22-14(2)23-27-18/h3-6,13H,7-12H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyYVYBPZIKFGCNAS-CYBMUJFWSA-N
MW368.44 g/mol
LogP2.57
Rot. Bonds4

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

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 171631157) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID171631157
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N[C@H](C)C(=O)N3CCC4(CC3)CC4)cc2)n1
InChIInChI=1S/C20H24N4O3/c1-13(19(26)24-11-9-20(7-8-20)10-12-24)21-17(25)15-3-5-16(6-4-15)18-22-14(2)23-27-18/h3-6,13H,7-12H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyYVYBPZIKFGCNAS-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 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) is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)N[C@H](C)C(=O)N3CCC4(CC3)CC4)cc2)n1.
What is the InChIKey of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is YVYBPZIKFGCNAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(19(26)24-11-9-20(7-8-20)10-12-24)21-17(25)15-3-5-16(6-4-15)18-22-14(2)23-27-18/h3-6,13H,7-12H2,1-2H3,(H,21,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-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-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 171631157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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