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

C11H13N3O2 — CID 136994466

IUPAC4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(C)c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3O2/c1-3-14(2)11-12-10(16-13-11)8-4-6-9(15)7-5-8/h4-7,15H,3H2,1-2H3
InChIKeyCLVBLGNLCBPTDB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.90
Rot. Bonds3

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

4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136994466) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136994466
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(C)c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3O2/c1-3-14(2)11-12-10(16-13-11)8-4-6-9(15)7-5-8/h4-7,15H,3H2,1-2H3
InChIKeyCLVBLGNLCBPTDB-UHFFFAOYSA-N
XLogP1.90
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116808303
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol
CID 136994463
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 133483793
5-(5-amino-3-methylthiophen-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808203
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136983312
2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
CID 136932329
2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 137002860
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481473

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol (CID 136994466) is 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol is CCN(C)c1noc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is CLVBLGNLCBPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-14(2)11-12-10(16-13-11)8-4-6-9(15)7-5-8/h4-7,15H,3H2,1-2H3.
What are the key properties of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol?
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 219.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136994466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).