3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole

C19H26N4O2 — CID 167823383

IUPAC3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(N3CCC4(CCN(C)CC4)CC3)n2)cc1
InChIInChI=1S/C19H26N4O2/c1-22-11-7-19(8-12-22)9-13-23(14-10-19)18-20-17(21-25-18)15-3-5-16(24-2)6-4-15/h3-6H,7-14H2,1-2H3
InChIKeyXGYAGULATULSBC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.06
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole (PubChem CID 167823383) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
PubChem CID167823383
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(N3CCC4(CCN(C)CC4)CC3)n2)cc1
InChIInChI=1S/C19H26N4O2/c1-22-11-7-19(8-12-22)9-13-23(14-10-19)18-20-17(21-25-18)15-3-5-16(24-2)6-4-15/h3-6H,7-14H2,1-2H3
InChIKeyXGYAGULATULSBC-UHFFFAOYSA-N
XLogP3.06
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 20881449
5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 4054775
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 20881463
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
(3S,4S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063598
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 20952697
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
3-(4-methoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
CID 154771153

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole (CID 167823383) is 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(N3CCC4(CCN(C)CC4)CC3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole?
The InChIKey is XGYAGULATULSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-11-7-19(8-12-22)9-13-23(14-10-19)18-20-17(21-25-18)15-3-5-16(24-2)6-4-15/h3-6H,7-14H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole has a molecular weight of 342.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167823383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).