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

C18H27ClN2O4 — CID 3021684

IUPAC1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
SMILESCc1cc(COc2ccccc2OCC(O)CNC(C)(C)C)no1.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-13-9-14(20-24-13)11-22-16-7-5-6-8-17(16)23-12-15(21)10-19-18(2,3)4;/h5-9,15,19,21H,10-12H2,1-4H3;1H
InChIKeyUZJOWYKAPFZDAL-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.11
Rot. Bonds8

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

1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride (PubChem CID 3021684) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
PubChem CID3021684
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC Name1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
SMILESCc1cc(COc2ccccc2OCC(O)CNC(C)(C)C)no1.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-13-9-14(20-24-13)11-22-16-7-5-6-8-17(16)23-12-15(21)10-19-18(2,3)4;/h5-9,15,19,21H,10-12H2,1-4H3;1H
InChIKeyUZJOWYKAPFZDAL-UHFFFAOYSA-N
XLogP3.11
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride (CID 3021684) is 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride is Cc1cc(COc2ccccc2OCC(O)CNC(C)(C)C)no1.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The InChIKey is UZJOWYKAPFZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4.ClH/c1-13-9-14(20-24-13)11-22-16-7-5-6-8-17(16)23-12-15(21)10-19-18(2,3)4;/h5-9,15,19,21H,10-12H2,1-4H3;1H.
What are the key properties of 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 3021684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).