1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C17H24BrClN2O4 — CID 13071622

IUPAC1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1noc(COc2ccccc2OCC(O)CNC(C)C)c1Br.Cl
InChIInChI=1S/C17H23BrN2O4.ClH/c1-11(2)19-8-13(21)9-22-14-6-4-5-7-15(14)23-10-16-17(18)12(3)20-24-16;/h4-7,11,13,19,21H,8-10H2,1-3H3;1H
InChIKeyHMFHNSFZMYCZJM-UHFFFAOYSA-N
MW435.75 g/mol
LogP3.48
Rot. Bonds9

About 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 13071622) has the molecular formula C17H24BrClN2O4 and a molecular weight of 435.75 g/mol. Its IUPAC name is 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID13071622
Molecular FormulaC17H24BrClN2O4
Molecular Weight435.75 g/mol
Exact Mass434.06
IUPAC Name1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1noc(COc2ccccc2OCC(O)CNC(C)C)c1Br.Cl
InChIInChI=1S/C17H23BrN2O4.ClH/c1-11(2)19-8-13(21)9-22-14-6-4-5-7-15(14)23-10-16-17(18)12(3)20-24-16;/h4-7,11,13,19,21H,8-10H2,1-3H3;1H
InChIKeyHMFHNSFZMYCZJM-UHFFFAOYSA-N
XLogP3.48
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 13071622) is 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is Cc1noc(COc2ccccc2OCC(O)CNC(C)C)c1Br.Cl.
What is the InChIKey of 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is HMFHNSFZMYCZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O4.ClH/c1-11(2)19-8-13(21)9-22-14-6-4-5-7-15(14)23-10-16-17(18)12(3)20-24-16;/h4-7,11,13,19,21H,8-10H2,1-3H3;1H.
What are the key properties of 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 435.75 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 13071622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).