5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine

C13H15BrN2O2 — CID 112742090

IUPAC5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine
SMILESCOc1ccc(Br)cc1-c1onc(N)c1C(C)C
InChIInChI=1S/C13H15BrN2O2/c1-7(2)11-12(18-16-13(11)15)9-6-8(14)4-5-10(9)17-3/h4-7H,1-3H3,(H2,15,16)
InChIKeyOVRAMYNWAXNLAN-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.82
Rot. Bonds3

About 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine

5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 112742090) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine
PubChem CID112742090
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine
SMILESCOc1ccc(Br)cc1-c1onc(N)c1C(C)C
InChIInChI=1S/C13H15BrN2O2/c1-7(2)11-12(18-16-13(11)15)9-6-8(14)4-5-10(9)17-3/h4-7H,1-3H3,(H2,15,16)
InChIKeyOVRAMYNWAXNLAN-UHFFFAOYSA-N
XLogP3.82
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine 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-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 107967239
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
3-(5-bromo-2-methoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 82134756
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113296257
5-(4-bromo-2-methoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 115370350
2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82308142
[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 82160263
5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 115370348
3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole
CID 152764725
4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496003
6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine
CID 64687503

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine (CID 112742090) is 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine is COc1ccc(Br)cc1-c1onc(N)c1C(C)C.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is OVRAMYNWAXNLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-7(2)11-12(18-16-13(11)15)9-6-8(14)4-5-10(9)17-3/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine?
5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 311.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 112742090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).