3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine

C27H25N5O6 — CID 20873286

IUPAC3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(N(c3nc(-c4ccc(OC)c(OC)c4)no3)c3ccccc3C)n2)cc1OC
InChIInChI=1S/C27H25N5O6/c1-16-8-6-7-9-19(16)32(26-28-24(30-37-26)17-10-12-20(33-2)22(14-17)35-4)27-29-25(31-38-27)18-11-13-21(34-3)23(15-18)36-5/h6-15H,1-5H3
InChIKeyDFFSUTGIGXCKRO-UHFFFAOYSA-N
MW515.53 g/mol
LogP5.60
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine

3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20873286) has the molecular formula C27H25N5O6 and a molecular weight of 515.53 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20873286
Molecular FormulaC27H25N5O6
Molecular Weight515.53 g/mol
Exact Mass515.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(N(c3nc(-c4ccc(OC)c(OC)c4)no3)c3ccccc3C)n2)cc1OC
InChIInChI=1S/C27H25N5O6/c1-16-8-6-7-9-19(16)32(26-28-24(30-37-26)17-10-12-20(33-2)22(14-17)35-4)27-29-25(31-38-27)18-11-13-21(34-3)23(15-18)36-5/h6-15H,1-5H3
InChIKeyDFFSUTGIGXCKRO-UHFFFAOYSA-N
XLogP5.60
TPSA118.00 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500515.53
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286521
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289457
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide
CID 20922872
3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 16956456
5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 70928057
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyaniline
CID 55409486

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 20873286) is 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(-c2noc(N(c3nc(-c4ccc(OC)c(OC)c4)no3)c3ccccc3C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is DFFSUTGIGXCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O6/c1-16-8-6-7-9-19(16)32(26-28-24(30-37-26)17-10-12-20(33-2)22(14-17)35-4)27-29-25(31-38-27)18-11-13-21(34-3)23(15-18)36-5/h6-15H,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 515.53 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20873286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).