5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C19H21N5O2 — CID 167869734

IUPAC5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(N3CCc4c(ncn4C4CCC4)C3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-15-7-5-13(6-8-15)18-21-19(26-22-18)23-10-9-17-16(11-23)20-12-24(17)14-3-2-4-14/h5-8,12,14H,2-4,9-11H2,1H3
InChIKeyJNUALIGKUCUWEO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.23
Rot. Bonds4

About 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 167869734) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID167869734
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(N3CCc4c(ncn4C4CCC4)C3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-15-7-5-13(6-8-15)18-21-19(26-22-18)23-10-9-17-16(11-23)20-12-24(17)14-3-2-4-14/h5-8,12,14H,2-4,9-11H2,1H3
InChIKeyJNUALIGKUCUWEO-UHFFFAOYSA-N
XLogP3.23
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 4054775
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568
3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
CID 167823383
8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 20881449
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
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-propan-2-ylpiperidine-3-carboxamide
CID 126459659
N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904860
N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904843
cyclobutyl-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813039
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 22519570
cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 154763907

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 167869734) is 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(N3CCc4c(ncn4C4CCC4)C3)n2)cc1.
What is the InChIKey of 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JNUALIGKUCUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-25-15-7-5-13(6-8-15)18-21-19(26-22-18)23-10-9-17-16(11-23)20-12-24(17)14-3-2-4-14/h5-8,12,14H,2-4,9-11H2,1H3.
What are the key properties of 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclobutyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167869734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).