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

C10H10N2O2 — CID 15001229

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
SMILESCc1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)6-8-2-4-9(13)5-3-8/h2-5,13H,6H2,1H3
InChIKeyKDVKJUJYWPCZIJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.67
Rot. Bonds2

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

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol (PubChem CID 15001229) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
PubChem CID15001229
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
SMILESCc1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)6-8-2-4-9(13)5-3-8/h2-5,13H,6H2,1H3
InChIKeyKDVKJUJYWPCZIJ-UHFFFAOYSA-N
XLogP1.67
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine
CID 163469065
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43470380
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136903992
4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
4-[[5-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43104742
4-[[5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102655351
2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
4-[[5-(1-amino-3-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 55076144
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15001242
4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102780766

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol (CID 15001229) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol is Cc1nc(Cc2ccc(O)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol?
The InChIKey is KDVKJUJYWPCZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)6-8-2-4-9(13)5-3-8/h2-5,13H,6H2,1H3.
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol has a molecular weight of 190.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol is sourced from PubChem (CID 15001229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).