4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol

C11H9N5O2 — CID 136948998

IUPAC4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCn1ncc(-c2nc(-c3ccc(O)cc3)no2)n1
InChIInChI=1S/C11H9N5O2/c1-16-12-6-9(14-16)11-13-10(15-18-11)7-2-4-8(17)5-3-7/h2-6,17H,1H3
InChIKeyKEAUBDYYAYBZEJ-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.24
Rot. Bonds2

About 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol

4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136948998) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136948998
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCn1ncc(-c2nc(-c3ccc(O)cc3)no2)n1
InChIInChI=1S/C11H9N5O2/c1-16-12-6-9(14-16)11-13-10(15-18-11)7-2-4-8(17)5-3-7/h2-6,17H,1H3
InChIKeyKEAUBDYYAYBZEJ-UHFFFAOYSA-N
XLogP1.24
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
3-(chloromethyl)-5-(2-methyltriazol-4-yl)-1,2,4-oxadiazole
CID 130521052
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 136889344
ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide
CID 143438333
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 143992830
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 62920467

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 136948998) is 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is Cn1ncc(-c2nc(-c3ccc(O)cc3)no2)n1.
What is the InChIKey of 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is KEAUBDYYAYBZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-16-12-6-9(14-16)11-13-10(15-18-11)7-2-4-8(17)5-3-7/h2-6,17H,1H3.
What are the key properties of 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 243.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136948998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).