1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol

C19H21N3O3 — CID 109414479

IUPAC1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H21N3O3/c1-22(11-15-5-3-2-4-6-15)12-17(23)13-24-18-9-7-16(8-10-18)19-21-20-14-25-19/h2-10,14,17,23H,11-13H2,1H3
InChIKeyAFPCEFXISJGIKT-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.61
Rot. Bonds8

About 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol

1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol (PubChem CID 109414479) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
PubChem CID109414479
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H21N3O3/c1-22(11-15-5-3-2-4-6-15)12-17(23)13-24-18-9-7-16(8-10-18)19-21-20-14-25-19/h2-10,14,17,23H,11-13H2,1H3
InChIKeyAFPCEFXISJGIKT-UHFFFAOYSA-N
XLogP2.61
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
(2R)-1-(4-fluorophenoxy)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 97243398
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
(2S)-1-[4-[(2S)-2-hydroxy-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propyl]piperazin-1-yl]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 34175570
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
4-[2-hydroxy-3-[methyl-[(4-methylphenyl)methyl]amino]propoxy]benzonitrile
CID 51160351
2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 7680870
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenoxypropan-2-ol
CID 78805399

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol (CID 109414479) is 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol is CN(Cc1ccccc1)CC(O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is AFPCEFXISJGIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22(11-15-5-3-2-4-6-15)12-17(23)13-24-18-9-7-16(8-10-18)19-21-20-14-25-19/h2-10,14,17,23H,11-13H2,1H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 339.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 109414479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).