1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride

C17H26ClN3O4 — CID 6602749

IUPAC1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
SMILESCc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-12-19-16(24-20-12)11-23-15-8-6-5-7-14(15)22-10-13(21)9-18-17(2,3)4;/h5-8,13,18,21H,9-11H2,1-4H3;1H
InChIKeyIJFQPJLVRULPKP-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.51
Rot. Bonds8

About 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride

1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride (PubChem CID 6602749) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
PubChem CID6602749
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC Name1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
SMILESCc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-12-19-16(24-20-12)11-23-15-8-6-5-7-14(15)22-10-13(21)9-18-17(2,3)4;/h5-8,13,18,21H,9-11H2,1-4H3;1H
InChIKeyIJFQPJLVRULPKP-UHFFFAOYSA-N
XLogP2.51
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride (CID 6602749) is 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride is Cc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The InChIKey is IJFQPJLVRULPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.ClH/c1-12-19-16(24-20-12)11-23-15-8-6-5-7-14(15)22-10-13(21)9-18-17(2,3)4;/h5-8,13,18,21H,9-11H2,1-4H3;1H.
What are the key properties of 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 6602749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).