6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol

C18H17N5O2 — CID 139559776

IUPAC6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(Nc2nnc(-c3c[nH]c4ccccc34)o2)c(C)c(C)c1O
InChIInChI=1S/C18H17N5O2/c1-9-10(2)16(20-11(3)15(9)24)21-18-23-22-17(25-18)13-8-19-14-7-5-4-6-12(13)14/h4-8,19,24H,1-3H3,(H,20,21,23)
InChIKeyXTTJIZYULSLZAU-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.99
Rot. Bonds3

About 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol

6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol (PubChem CID 139559776) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol.

Molecular Properties

Compound Name6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
PubChem CID139559776
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(Nc2nnc(-c3c[nH]c4ccccc34)o2)c(C)c(C)c1O
InChIInChI=1S/C18H17N5O2/c1-9-10(2)16(20-11(3)15(9)24)21-18-23-22-17(25-18)13-8-19-14-7-5-4-6-12(13)14/h4-8,19,24H,1-3H3,(H,20,21,23)
InChIKeyXTTJIZYULSLZAU-UHFFFAOYSA-N
XLogP3.99
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine
CID 175670558
5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 175670615
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol
CID 139562072
2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
N-(2,3-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135763691
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 135869360
2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 135623350
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 2551426

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol?
The IUPAC name of 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol (CID 139559776) is 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol.
What is the SMILES notation for 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol?
The canonical SMILES for 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol is Cc1nc(Nc2nnc(-c3c[nH]c4ccccc34)o2)c(C)c(C)c1O.
What is the InChIKey of 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol?
The InChIKey is XTTJIZYULSLZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-9-10(2)16(20-11(3)15(9)24)21-18-23-22-17(25-18)13-8-19-14-7-5-4-6-12(13)14/h4-8,19,24H,1-3H3,(H,20,21,23).
What are the key properties of 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol?
6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol has a molecular weight of 335.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol is sourced from PubChem (CID 139559776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).