5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine

C25H27N5O7 — CID 90667493

IUPAC5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(Nc2nnc(-c3cccnc3Nc3cc(OC)c(OC)c(OC)c3)o2)cc(OC)c1OC
InChIInChI=1S/C25H27N5O7/c1-31-17-10-14(11-18(32-2)21(17)35-5)27-23-16(8-7-9-26-23)24-29-30-25(37-24)28-15-12-19(33-3)22(36-6)20(13-15)34-4/h7-13H,1-6H3,(H,26,27)(H,28,30)
InChIKeyFCSAHLWLUXIBAR-UHFFFAOYSA-N
MW509.52 g/mol
LogP4.67
Rot. Bonds11

About 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine

5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 90667493) has the molecular formula C25H27N5O7 and a molecular weight of 509.52 g/mol. Its IUPAC name is 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID90667493
Molecular FormulaC25H27N5O7
Molecular Weight509.52 g/mol
Exact Mass509.19
IUPAC Name5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(Nc2nnc(-c3cccnc3Nc3cc(OC)c(OC)c(OC)c3)o2)cc(OC)c1OC
InChIInChI=1S/C25H27N5O7/c1-31-17-10-14(11-18(32-2)21(17)35-5)27-23-16(8-7-9-26-23)24-29-30-25(37-24)28-15-12-19(33-3)22(36-6)20(13-15)34-4/h7-13H,1-6H3,(H,26,27)(H,28,30)
InChIKeyFCSAHLWLUXIBAR-UHFFFAOYSA-N
XLogP4.67
TPSA131.25 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

N-(benzo[d][1,3]dioxol-5-yl)-5-(2-(pyridin-4-ylmethylamino)phenyl)-1,3,4-oxadiazol-2-amine
CID 5147155
2-(2-((4-Pyridyl)methyl)aminophenyl)-5-(3,4-ethylenedioxy)phenylamino-1,3,4-oxadiazole
CID 5147157
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-N-(5-{2-[(3-pyridylmethyl)amino]phenyl}-1,3,4-oxadiazol-2-YL)amine
CID 5147158
N-(3,4-dimethoxyphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644894
N-(1,3-benzodioxol-5-yl)-5-{2-[(pyridin-3-ylmethyl)amino]phenyl}-1,3,4-oxadiazol-2-amine
CID 5147156
3-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylamino)-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 11258149
N-(1,3-benzodioxol-5-yl)-5-[2-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 11373593
N-methyl-2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)benzamide
CID 11419098
N-(1,3-benzodioxol-5-yl)-5-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 11451846
N-(1,3-benzodioxol-5-yl)-5-[2-(furan-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 11749241
N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylamino)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 44408191
3-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylamino)-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 44408195

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 90667493) is 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1cc(Nc2nnc(-c3cccnc3Nc3cc(OC)c(OC)c(OC)c3)o2)cc(OC)c1OC.
What is the InChIKey of 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FCSAHLWLUXIBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O7/c1-31-17-10-14(11-18(32-2)21(17)35-5)27-23-16(8-7-9-26-23)24-29-30-25(37-24)28-15-12-19(33-3)22(36-6)20(13-15)34-4/h7-13H,1-6H3,(H,26,27)(H,28,30).
What are the key properties of 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 509.52 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 90667493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).