5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol

C17H17N3O3 — CID 143701854

IUPAC5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol
SMILESCc1cnccc1-c1nc(-c2ccc(OC(C)C)c(O)c2)no1
InChIInChI=1S/C17H17N3O3/c1-10(2)22-15-5-4-12(8-14(15)21)16-19-17(23-20-16)13-6-7-18-9-11(13)3/h4-10,21H,1-3H3
InChIKeyBGAHFYZEIWPXKB-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.60
Rot. Bonds4

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

5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol (PubChem CID 143701854) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol.

Molecular Properties

Compound Name5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol
PubChem CID143701854
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol
SMILESCc1cnccc1-c1nc(-c2ccc(OC(C)C)c(O)c2)no1
InChIInChI=1S/C17H17N3O3/c1-10(2)22-15-5-4-12(8-14(15)21)16-19-17(23-20-16)13-6-7-18-9-11(13)3/h4-10,21H,1-3H3
InChIKeyBGAHFYZEIWPXKB-UHFFFAOYSA-N
XLogP3.60
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-hydroxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 71094219
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247
5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 59556754
3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 131158237
2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 143701909
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810076
5-(4,5-dimethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 71142014
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136888723
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904315
(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899860

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol?
The IUPAC name of 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol (CID 143701854) is 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol.
What is the SMILES notation for 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol?
The canonical SMILES for 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol is Cc1cnccc1-c1nc(-c2ccc(OC(C)C)c(O)c2)no1.
What is the InChIKey of 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol?
The InChIKey is BGAHFYZEIWPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(2)22-15-5-4-12(8-14(15)21)16-19-17(23-20-16)13-6-7-18-9-11(13)3/h4-10,21H,1-3H3.
What are the key properties of 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol?
5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol has a molecular weight of 311.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol is sourced from PubChem (CID 143701854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).