4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol

C14H16BrN3O2 — CID 154772265

IUPAC4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol
SMILESCc1nc(C2CN(Cc3cc(Br)cc(C)c3O)C2)no1
InChIInChI=1S/C14H16BrN3O2/c1-8-3-12(15)4-10(13(8)19)5-18-6-11(7-18)14-16-9(2)20-17-14/h3-4,11,19H,5-7H2,1-2H3
InChIKeyNKYKSSDMYDRWLH-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.75
Rot. Bonds3

About 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol

4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol (PubChem CID 154772265) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol
PubChem CID154772265
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol
SMILESCc1nc(C2CN(Cc3cc(Br)cc(C)c3O)C2)no1
InChIInChI=1S/C14H16BrN3O2/c1-8-3-12(15)4-10(13(8)19)5-18-6-11(7-18)14-16-9(2)20-17-14/h3-4,11,19H,5-7H2,1-2H3
InChIKeyNKYKSSDMYDRWLH-UHFFFAOYSA-N
XLogP2.75
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]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

4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
CID 112553400
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 112553577
4-bromo-2-methyl-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 112553630
4-bromo-2-methyl-6-[(4-propylpiperazin-1-yl)methyl]phenol
CID 112553308
4-bromo-2-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]phenol
CID 112553412
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-4-bromo-6-methylphenol
CID 115903877
4-bromo-2-methyl-6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenol
CID 115904024
4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 114598012
3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 53015168
methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
CID 71971727
1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
CID 131049147

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol?
The IUPAC name of 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol (CID 154772265) is 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol?
The canonical SMILES for 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol is Cc1nc(C2CN(Cc3cc(Br)cc(C)c3O)C2)no1.
What is the InChIKey of 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol?
The InChIKey is NKYKSSDMYDRWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8-3-12(15)4-10(13(8)19)5-18-6-11(7-18)14-16-9(2)20-17-14/h3-4,11,19H,5-7H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol?
4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol has a molecular weight of 338.21 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol is sourced from PubChem (CID 154772265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).