3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine

C21H21N5O3 — CID 133331050

IUPAC3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NC(c3ccccc3OC)c3nccn3C)n2)c1
InChIInChI=1S/C21H21N5O3/c1-26-12-11-22-20(26)18(16-9-4-5-10-17(16)28-3)23-21-24-19(25-29-21)14-7-6-8-15(13-14)27-2/h4-13,18H,1-3H3,(H,23,24,25)
InChIKeyQGBSKDTWSOERBP-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.69
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine

3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133331050) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID133331050
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NC(c3ccccc3OC)c3nccn3C)n2)c1
InChIInChI=1S/C21H21N5O3/c1-26-12-11-22-20(26)18(16-9-4-5-10-17(16)28-3)23-21-24-19(25-29-21)14-7-6-8-15(13-14)27-2/h4-13,18H,1-3H3,(H,23,24,25)
InChIKeyQGBSKDTWSOERBP-UHFFFAOYSA-N
XLogP3.69
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133331203
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 133331028
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
CID 92535647
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 27702363
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 133331050) is 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NC(c3ccccc3OC)c3nccn3C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is QGBSKDTWSOERBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-26-12-11-22-20(26)18(16-9-4-5-10-17(16)28-3)23-21-24-19(25-29-21)14-7-6-8-15(13-14)27-2/h4-13,18H,1-3H3,(H,23,24,25).
What are the key properties of 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 391.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133331050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).