5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole

C14H16BrNO2 — CID 115401922

IUPAC5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(Br)cc2C(C)C)on1
InChIInChI=1S/C14H16BrNO2/c1-9(2)13-7-11(15)4-5-14(13)17-8-12-6-10(3)16-18-12/h4-7,9H,8H2,1-3H3
InChIKeyYILFZJWUEFGDCP-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.45
Rot. Bonds4

About 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole

5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole (PubChem CID 115401922) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
PubChem CID115401922
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(Br)cc2C(C)C)on1
InChIInChI=1S/C14H16BrNO2/c1-9(2)13-7-11(15)4-5-14(13)17-8-12-6-10(3)16-18-12/h4-7,9H,8H2,1-3H3
InChIKeyYILFZJWUEFGDCP-UHFFFAOYSA-N
XLogP4.45
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole 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

(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 115402732
(1S)-1-[5-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 63367192
1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056849
(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 79027106
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole (CID 115401922) is 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole is Cc1cc(COc2ccc(Br)cc2C(C)C)on1.
What is the InChIKey of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole?
The InChIKey is YILFZJWUEFGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9(2)13-7-11(15)4-5-14(13)17-8-12-6-10(3)16-18-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole?
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole has a molecular weight of 310.19 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 115401922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).