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

C17H25ClN2O4 — CID 3021682

IUPAC1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1cc(COc2ccccc2OCC(O)CNC(C)C)no1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-12(2)18-9-15(20)11-22-17-7-5-4-6-16(17)21-10-14-8-13(3)23-19-14;/h4-8,12,15,18,20H,9-11H2,1-3H3;1H
InChIKeyJETLSDOLQBIIDV-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.72
Rot. Bonds9

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

1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 3021682) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID3021682
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1cc(COc2ccccc2OCC(O)CNC(C)C)no1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-12(2)18-9-15(20)11-22-17-7-5-4-6-16(17)21-10-14-8-13(3)23-19-14;/h4-8,12,15,18,20H,9-11H2,1-3H3;1H
InChIKeyJETLSDOLQBIIDV-UHFFFAOYSA-N
XLogP2.72
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 3021682) is 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is Cc1cc(COc2ccccc2OCC(O)CNC(C)C)no1.Cl.
What is the InChIKey of 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is JETLSDOLQBIIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-12(2)18-9-15(20)11-22-17-7-5-4-6-16(17)21-10-14-8-13(3)23-19-14;/h4-8,12,15,18,20H,9-11H2,1-3H3;1H.
What are the key properties of 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 3021682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).