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

C13H17N3O2 — CID 114182895

IUPAC5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCc2noc(C)n2)c(O)c1
InChIInChI=1S/C13H17N3O2/c1-8-4-5-11(12(17)6-8)9(2)14-7-13-15-10(3)18-16-13/h4-6,9,14,17H,7H2,1-3H3
InChIKeyVZGZCEKPVQABIF-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.24
Rot. Bonds4

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

5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol (PubChem CID 114182895) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
PubChem CID114182895
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCc2noc(C)n2)c(O)c1
InChIInChI=1S/C13H17N3O2/c1-8-4-5-11(12(17)6-8)9(2)14-7-13-15-10(3)18-16-13/h4-6,9,14,17H,7H2,1-3H3
InChIKeyVZGZCEKPVQABIF-UHFFFAOYSA-N
XLogP2.24
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
5-methyl-2-[1-(1,2-oxazol-5-ylmethylamino)ethyl]phenol
CID 106415696
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
2-[1-[(2-hydroxyphenyl)methylamino]ethyl]-5-methylphenol
CID 104582169
1-(3,4-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 113350417
2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol
CID 104581798
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 104583920
N-[1-[4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63640130
1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103827365

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol (CID 114182895) is 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol is Cc1ccc(C(C)NCc2noc(C)n2)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol?
The InChIKey is VZGZCEKPVQABIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-4-5-11(12(17)6-8)9(2)14-7-13-15-10(3)18-16-13/h4-6,9,14,17H,7H2,1-3H3.
What are the key properties of 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol?
5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol has a molecular weight of 247.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 114182895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).