N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide

C17H18N4O3 — CID 171631117

IUPACN-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESC[C@H](NC(=O)c1noc(-c2ccccc2)n1)C(=O)N1CC2(CC2)C1
InChIInChI=1S/C17H18N4O3/c1-11(16(23)21-9-17(10-21)7-8-17)18-14(22)13-19-15(24-20-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,18,22)/t11-/m0/s1
InChIKeyFGUNKICVIXFZLT-NSHDSACASA-N
MW326.36 g/mol
LogP1.48
Rot. Bonds4

About N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide

N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 171631117) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID171631117
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESC[C@H](NC(=O)c1noc(-c2ccccc2)n1)C(=O)N1CC2(CC2)C1
InChIInChI=1S/C17H18N4O3/c1-11(16(23)21-9-17(10-21)7-8-17)18-14(22)13-19-15(24-20-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,18,22)/t11-/m0/s1
InChIKeyFGUNKICVIXFZLT-NSHDSACASA-N
XLogP1.48
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(3-cyanophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 171631377
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
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
CID 171631725
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
(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632334
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 174372863
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
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide
CID 171631253
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
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-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 171631464

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide (CID 171631117) is N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide is C[C@H](NC(=O)c1noc(-c2ccccc2)n1)C(=O)N1CC2(CC2)C1.
What is the InChIKey of N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FGUNKICVIXFZLT-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11(16(23)21-9-17(10-21)7-8-17)18-14(22)13-19-15(24-20-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 171631117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).