benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)

C60H57N9O15 — CID 175653128

IUPACbenzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
SMILESCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.COc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.COc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.c1ccccc1
InChIInChI=1S/3C18H17N3O5.C6H6/c3*1-23-13-7-5-4-6-12(13)18(22)19-17-16(20-26-21-17)11-8-9-14(24-2)15(10-11)25-3;1-2-4-6-5-3-1/h3*4-10H,1-3H3,(H,19,21,22);1-6H
InChIKeyKLUDPSKCZOHUQA-UHFFFAOYSA-N
MW1144.16 g/mol
LogP10.73
Rot. Bonds18

About benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)

benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide) (PubChem CID 175653128) has the molecular formula C60H57N9O15 and a molecular weight of 1144.16 g/mol. Its IUPAC name is benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide).

Molecular Properties

Compound Namebenzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
PubChem CID175653128
Molecular FormulaC60H57N9O15
Molecular Weight1144.16 g/mol
Exact Mass1143.40
IUPAC Namebenzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
SMILESCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.COc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.COc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.c1ccccc1
InChIInChI=1S/3C18H17N3O5.C6H6/c3*1-23-13-7-5-4-6-12(13)18(22)19-17-16(20-26-21-17)11-8-9-14(24-2)15(10-11)25-3;1-2-4-6-5-3-1/h3*4-10H,1-3H3,(H,19,21,22);1-6H
InChIKeyKLUDPSKCZOHUQA-UHFFFAOYSA-N
XLogP10.73
TPSA287.13 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001144.16
LogP ≤ 510.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
CID 7693268
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17013592
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 7711257
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide
CID 53198463
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636

Frequently Asked Questions

What is the IUPAC name of benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)?
The IUPAC name of benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide) (CID 175653128) is benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide).
What is the SMILES notation for benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)?
The canonical SMILES for benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide) is COc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.COc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.COc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OC.c1ccccc1.
What is the InChIKey of benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)?
The InChIKey is KLUDPSKCZOHUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H17N3O5.C6H6/c3*1-23-13-7-5-4-6-12(13)18(22)19-17-16(20-26-21-17)11-8-9-14(24-2)15(10-11)25-3;1-2-4-6-5-3-1/h3*4-10H,1-3H3,(H,19,21,22);1-6H.
What are the key properties of benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)?
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide) has a molecular weight of 1144.16 g/mol, XLogP of 10.73, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide) is sourced from PubChem (CID 175653128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).