[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone

C20H24N4O2 — CID 56741124

IUPAC[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCCC2(CCNC2)C1
InChIInChI=1S/C20H24N4O2/c25-19(24-11-1-8-20(13-24)9-10-21-12-20)16-6-2-14(3-7-16)17-22-18(26-23-17)15-4-5-15/h2-3,6-7,15,21H,1,4-5,8-13H2
InChIKeyQDWSGNSWRKVOHS-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.83
Rot. Bonds3

About [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone

[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone (PubChem CID 56741124) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone
PubChem CID56741124
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCCC2(CCNC2)C1
InChIInChI=1S/C20H24N4O2/c25-19(24-11-1-8-20(13-24)9-10-21-12-20)16-6-2-14(3-7-16)17-22-18(26-23-17)15-4-5-15/h2-3,6-7,15,21H,1,4-5,8-13H2
InChIKeyQDWSGNSWRKVOHS-UHFFFAOYSA-N
XLogP2.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
CID 119063833
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
CID 141337050
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?
The IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone (CID 56741124) is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone.
What is the SMILES notation for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?
The canonical SMILES for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone is O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCCC2(CCNC2)C1.
What is the InChIKey of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?
The InChIKey is QDWSGNSWRKVOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(24-11-1-8-20(13-24)9-10-21-12-20)16-6-2-14(3-7-16)17-22-18(26-23-17)15-4-5-15/h2-3,6-7,15,21H,1,4-5,8-13H2.
What are the key properties of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone is sourced from PubChem (CID 56741124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).