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

C12H15N3O2 — CID 116809604

IUPAC3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCN(C)c1noc(-c2cccc(O)c2C)n1
InChIInChI=1S/C12H15N3O2/c1-4-15(3)12-13-11(17-14-12)9-6-5-7-10(16)8(9)2/h5-7,16H,4H2,1-3H3
InChIKeyZQZRBKZNOLSDOS-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.21
Rot. Bonds3

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

3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 116809604) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID116809604
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCN(C)c1noc(-c2cccc(O)c2C)n1
InChIInChI=1S/C12H15N3O2/c1-4-15(3)12-13-11(17-14-12)9-6-5-7-10(16)8(9)2/h5-7,16H,4H2,1-3H3
InChIKeyZQZRBKZNOLSDOS-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

2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol
CID 136994463
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82831138
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 82830253
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
2-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830185
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830916
2-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830187
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136994382
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 116809604) is 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol is CCN(C)c1noc(-c2cccc(O)c2C)n1.
What is the InChIKey of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is ZQZRBKZNOLSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-15(3)12-13-11(17-14-12)9-6-5-7-10(16)8(9)2/h5-7,16H,4H2,1-3H3.
What are the key properties of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-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 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 116809604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).