2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol

C12H15N3O2 — CID 136994463

IUPAC2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol
SMILESCCN(C)c1noc(-c2cccc(C)c2O)n1
InChIInChI=1S/C12H15N3O2/c1-4-15(3)12-13-11(17-14-12)9-7-5-6-8(2)10(9)16/h5-7,16H,4H2,1-3H3
InChIKeyUYYJICRQKDYZKV-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.21
Rot. Bonds3

About 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol

2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol (PubChem CID 136994463) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol.

Molecular Properties

Compound Name2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol
PubChem CID136994463
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol
SMILESCCN(C)c1noc(-c2cccc(C)c2O)n1
InChIInChI=1S/C12H15N3O2/c1-4-15(3)12-13-11(17-14-12)9-7-5-6-8(2)10(9)16/h5-7,16H,4H2,1-3H3
InChIKeyUYYJICRQKDYZKV-UHFFFAOYSA-N
XLogP2.21
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012864
2-methyl-6-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136673874
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-6-methylphenol
CID 136994446
5-(5-amino-3-methylthiophen-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808203
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136994382
2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116808303
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712650
2-amino-6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712755
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82831138

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol?
The IUPAC name of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol (CID 136994463) is 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol.
What is the SMILES notation for 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol?
The canonical SMILES for 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol is CCN(C)c1noc(-c2cccc(C)c2O)n1.
What is the InChIKey of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol?
The InChIKey is UYYJICRQKDYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-15(3)12-13-11(17-14-12)9-7-5-6-8(2)10(9)16/h5-7,16H,4H2,1-3H3.
What are the key properties of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol?
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol has a molecular weight of 233.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol is sourced from PubChem (CID 136994463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).