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

C17H25ClN2O4 — CID 3021680

IUPAC1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1cc(COc2ccccc2OCC(O)CNC(C)C)on1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-12(2)18-9-14(20)10-21-16-6-4-5-7-17(16)22-11-15-8-13(3)19-23-15;/h4-8,12,14,18,20H,9-11H2,1-3H3;1H
InChIKeyIDVASQNHWIQZDT-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.72
Rot. Bonds9

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

1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 3021680) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID3021680
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1cc(COc2ccccc2OCC(O)CNC(C)C)on1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-12(2)18-9-14(20)10-21-16-6-4-5-7-17(16)22-11-15-8-13(3)19-23-15;/h4-8,12,14,18,20H,9-11H2,1-3H3;1H
InChIKeyIDVASQNHWIQZDT-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-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 3021680) is 1-[2-[(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-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is Cc1cc(COc2ccccc2OCC(O)CNC(C)C)on1.Cl.
What is the InChIKey of 1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is IDVASQNHWIQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-12(2)18-9-14(20)10-21-16-6-4-5-7-17(16)22-11-15-8-13(3)19-23-15;/h4-8,12,14,18,20H,9-11H2,1-3H3;1H.
What are the key properties of 1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[2-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 3021680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).