1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine

C21H23N5OS — CID 50950099

IUPAC1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(CN(C)C)cs2)no1
InChIInChI=1S/C21H23N5OS/c1-4-19-23-18(24-27-19)12-26-14-22-20(16-8-6-5-7-9-16)21(26)17-10-15(13-28-17)11-25(2)3/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyCUAZDKMKZILAIM-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.33
Rot. Bonds7

About 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine

1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 50950099) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID50950099
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(CN(C)C)cs2)no1
InChIInChI=1S/C21H23N5OS/c1-4-19-23-18(24-27-19)12-26-14-22-20(16-8-6-5-7-9-16)21(26)17-10-15(13-28-17)11-25(2)3/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyCUAZDKMKZILAIM-UHFFFAOYSA-N
XLogP4.33
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 53564855
5-[(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 53570844
1-[4-Methyl-5-(acetonylthio)-4H-1,2,4-triazole-3-ylmethyl]-2-(2-thienyl)-4,5-diphenyl-1H-imidazole
CID 990427
3-(1-Methyl-1H-1,3-benzimidazol-6-YL)-5-(2-thienylmethyl)-1,2,4-oxadiazole
CID 53172661
1-propyl-6-[5-(2-thienylmethyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazole
CID 53172732
3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(2-thienylmethyl)-1,2,4-oxadiazole
CID 53172750
5-Methyl-2-phenyl-1-{[1-(thiophene-3-carbonyl)pyrrolidin-3-YL]methyl}-1H-imidazole
CID 124077733
5-ethyl-3-{[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazole
CID 50952580
1-{2-[5-(3-methyl-2-thienyl)-4-phenyl-1H-imidazol-1-yl]ethyl}imidazolidin-2-one
CID 50956740
5-cyclopropyl-3-{[5-(2-methyl-1,3-thiazol-5-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazole
CID 50977488
3-{[2-(5-phenyl-2-thienyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide
CID 70719629
(4R)-1-methyl-4-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]pyrrolidin-2-one
CID 95123811

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine (CID 50950099) is 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine is CCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(CN(C)C)cs2)no1.
What is the InChIKey of 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is CUAZDKMKZILAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-4-19-23-18(24-27-19)12-26-14-22-20(16-8-6-5-7-9-16)21(26)17-10-15(13-28-17)11-25(2)3/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 393.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 50950099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).