2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol

C15H13N3O2 — CID 175178675

IUPAC2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3ccc(C)c(O)c3)n2)cn1
InChIInChI=1S/C15H13N3O2/c1-9-3-5-11(7-13(9)19)15-17-14(18-20-15)12-6-4-10(2)16-8-12/h3-8,19H,1-2H3
InChIKeyUDKIXGHNBGZFRC-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol

2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 175178675) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID175178675
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3ccc(C)c(O)c3)n2)cn1
InChIInChI=1S/C15H13N3O2/c1-9-3-5-11(7-13(9)19)15-17-14(18-20-15)12-6-4-10(2)16-8-12/h3-8,19H,1-2H3
InChIKeyUDKIXGHNBGZFRC-UHFFFAOYSA-N
XLogP3.12
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63852485
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63846099
2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845758
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 175178675) is 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(-c2noc(-c3ccc(C)c(O)c3)n2)cn1.
What is the InChIKey of 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is UDKIXGHNBGZFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-5-11(7-13(9)19)15-17-14(18-20-15)12-6-4-10(2)16-8-12/h3-8,19H,1-2H3.
What are the key properties of 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 175178675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).