1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol

C15H19BrN2O3 — CID 106371950

IUPAC1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCc2ncc(C)o2)c(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-3-4-14(13(16)5-10)20-9-12(19)7-17-8-15-18-6-11(2)21-15/h3-6,12,17,19H,7-9H2,1-2H3
InChIKeyTUGLRLDOMWKOLT-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.58
Rot. Bonds7

About 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol

1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol (PubChem CID 106371950) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
PubChem CID106371950
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCc2ncc(C)o2)c(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-3-4-14(13(16)5-10)20-9-12(19)7-17-8-15-18-6-11(2)21-15/h3-6,12,17,19H,7-9H2,1-2H3
InChIKeyTUGLRLDOMWKOLT-UHFFFAOYSA-N
XLogP2.58
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-(2-methoxyphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372231
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
1-(2-bromo-4-methylphenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)amino]propan-2-ol
CID 63296401
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901590
1-(2-bromo-4-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640849
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909211
1-(2-bromo-4-methylphenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 60633111
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
CID 106371765
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79250467
1-(2-bromo-4-methylphenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713214
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol (CID 106371950) is 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol is Cc1ccc(OCC(O)CNCc2ncc(C)o2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
The InChIKey is TUGLRLDOMWKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-3-4-14(13(16)5-10)20-9-12(19)7-17-8-15-18-6-11(2)21-15/h3-6,12,17,19H,7-9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol has a molecular weight of 355.23 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106371950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).