2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine

C36H34N10O3 — CID 158635617

IUPAC2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCOc1cccc(Cc2nnc(Cc3ccc4[nH]ncc4c3)n2N)c1.COc1cccc(Cc2nnc(Cc3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C18H18N6O.C18H16N4O2/c1-25-15-4-2-3-12(8-15)9-17-22-23-18(24(17)19)10-13-5-6-16-14(7-13)11-20-21-16;1-23-15-4-2-3-12(8-15)9-17-21-22-18(24-17)10-13-5-6-16-14(7-13)11-19-20-16/h2-8,11H,9-10,19H2,1H3,(H,20,21);2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyHZSRMBBDKAHJMO-UHFFFAOYSA-N
MW654.74 g/mol
LogP5.19
Rot. Bonds10

About 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine

2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine (PubChem CID 158635617) has the molecular formula C36H34N10O3 and a molecular weight of 654.74 g/mol. Its IUPAC name is 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
PubChem CID158635617
Molecular FormulaC36H34N10O3
Molecular Weight654.74 g/mol
Exact Mass654.28
IUPAC Name2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCOc1cccc(Cc2nnc(Cc3ccc4[nH]ncc4c3)n2N)c1.COc1cccc(Cc2nnc(Cc3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C18H18N6O.C18H16N4O2/c1-25-15-4-2-3-12(8-15)9-17-22-23-18(24(17)19)10-13-5-6-16-14(7-13)11-20-21-16;1-23-15-4-2-3-12(8-15)9-17-21-22-18(24-17)10-13-5-6-16-14(7-13)11-19-20-16/h2-8,11H,9-10,19H2,1H3,(H,20,21);2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyHZSRMBBDKAHJMO-UHFFFAOYSA-N
XLogP5.19
TPSA171.47 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.74
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 58381514
5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 25108997
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979
5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 166213401
2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 82665656
7-methoxy-3-[(3-methoxyphenyl)methyl]imidazo[1,5-a]pyridine
CID 117143075
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663687
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
5-(3-methoxypropyl)-1H-indazole
CID 175249018
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The IUPAC name of 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine (CID 158635617) is 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine is COc1cccc(Cc2nnc(Cc3ccc4[nH]ncc4c3)n2N)c1.COc1cccc(Cc2nnc(Cc3ccc4[nH]ncc4c3)o2)c1.
What is the InChIKey of 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The InChIKey is HZSRMBBDKAHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O.C18H16N4O2/c1-25-15-4-2-3-12(8-15)9-17-22-23-18(24(17)19)10-13-5-6-16-14(7-13)11-20-21-16;1-23-15-4-2-3-12(8-15)9-17-21-22-18(24-17)10-13-5-6-16-14(7-13)11-19-20-16/h2-8,11H,9-10,19H2,1H3,(H,20,21);2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine has a molecular weight of 654.74 g/mol, XLogP of 5.19, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 158635617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).