2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol

C17H13N3O2 — CID 129122103

IUPAC2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol
SMILESCc1nc(-c2ccc3[nH]c(-c4ccccc4O)cc3c2)no1
InChIInChI=1S/C17H13N3O2/c1-10-18-17(20-22-10)11-6-7-14-12(8-11)9-15(19-14)13-4-2-3-5-16(13)21/h2-9,19,21H,1H3
InChIKeyKKPMQYXFMQUFFC-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.90
Rot. Bonds2

About 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol

2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol (PubChem CID 129122103) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol
PubChem CID129122103
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol
SMILESCc1nc(-c2ccc3[nH]c(-c4ccccc4O)cc3c2)no1
InChIInChI=1S/C17H13N3O2/c1-10-18-17(20-22-10)11-6-7-14-12(8-11)9-15(19-14)13-4-2-3-5-16(13)21/h2-9,19,21H,1H3
InChIKeyKKPMQYXFMQUFFC-UHFFFAOYSA-N
XLogP3.90
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol;4-(4-fluorophenyl)-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol;2-(5-isocyano-1H-indol-2-yl)-4-phenylphenol;4-(4-methoxyphenyl)-2-(5-methyl-1H-indol-2-yl)phenol;2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol;2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]-4-thiophen-2-ylphenol
CID 159252944
2-(2-hydroxyphenyl)-1H-indole-5-carboxylic acid
CID 54131699
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol
CID 135894697
3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 14742883
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
CID 135449004
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
2-(5-amino-6-methoxy-1H-indol-2-yl)phenol
CID 82381422
4H-cyclopenta[b]quinolin-1-ol
CID 154308878

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol?
The IUPAC name of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol (CID 129122103) is 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol.
What is the SMILES notation for 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol?
The canonical SMILES for 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol is Cc1nc(-c2ccc3[nH]c(-c4ccccc4O)cc3c2)no1.
What is the InChIKey of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol?
The InChIKey is KKPMQYXFMQUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-18-17(20-22-10)11-6-7-14-12(8-11)9-15(19-14)13-4-2-3-5-16(13)21/h2-9,19,21H,1H3.
What are the key properties of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol?
2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol has a molecular weight of 291.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol is sourced from PubChem (CID 129122103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).