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

C10H11N3O2 — CID 106659974

IUPAC4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
SMILESCc1noc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C10H11N3O2/c1-7-12-10(15-13-7)11-6-8-2-4-9(14)5-3-8/h2-5,14H,6H2,1H3,(H,11,12,13)
InChIKeyOYHPAIASYUYQGE-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.70
Rot. Bonds3

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

4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol (PubChem CID 106659974) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
PubChem CID106659974
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
SMILESCc1noc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C10H11N3O2/c1-7-12-10(15-13-7)11-6-8-2-4-9(14)5-3-8/h2-5,14H,6H2,1H3,(H,11,12,13)
InChIKeyOYHPAIASYUYQGE-UHFFFAOYSA-N
XLogP1.70
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(4-nitrophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 75498185
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
N-[(4-fluoro-3-methylphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777296
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592348
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677310
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659595
N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924839
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol (CID 106659974) is 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol is Cc1noc(NCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol?
The InChIKey is OYHPAIASYUYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-12-10(15-13-7)11-6-8-2-4-9(14)5-3-8/h2-5,14H,6H2,1H3,(H,11,12,13).
What are the key properties of 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol?
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol has a molecular weight of 205.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol is sourced from PubChem (CID 106659974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).