1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride

C14H15ClN2O4 — CID 142653320

IUPAC1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride
SMILESCc1nnc(-c2cc3c(OCC(C)O)cccc3o2)o1.Cl
InChIInChI=1S/C14H14N2O4.ClH/c1-8(17)7-18-11-4-3-5-12-10(11)6-13(20-12)14-16-15-9(2)19-14;/h3-6,8,17H,7H2,1-2H3;1H
InChIKeyARELRPHHQCJRGO-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.97
Rot. Bonds4

About 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride

1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride (PubChem CID 142653320) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride
PubChem CID142653320
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride
SMILESCc1nnc(-c2cc3c(OCC(C)O)cccc3o2)o1.Cl
InChIInChI=1S/C14H14N2O4.ClH/c1-8(17)7-18-11-4-3-5-12-10(11)6-13(20-12)14-16-15-9(2)19-14;/h3-6,8,17H,7H2,1-2H3;1H
InChIKeyARELRPHHQCJRGO-UHFFFAOYSA-N
XLogP2.97
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride with MolForge

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Related Compounds

1-[(2S)-2-hydroxy-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propyl]-4-naphthalen-2-ylpiperidin-4-ol;hydrochloride
CID 69497881
1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306517
ethane;1-[4-(4-methoxy-2-methylphenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 142942868
1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 22729230
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306533
2-[4-[[(2S)-oxiran-2-yl]methoxy]-1-benzofuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 87858757
(2S)-1-[4-(3,4-dimethylphenyl)piperidin-1-yl]-3-[[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306452
2-(2-methylpropyl)-5-[4-[[(2S)-oxiran-2-yl]methoxy]-1-benzofuran-2-yl]-1,3,4-oxadiazole
CID 87858790
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
CID 70257294
2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole
CID 22729263
1-[4-(3,4-dihydro-2H-chromen-6-yl)piperidin-1-yl]-3-[[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306549

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride (CID 142653320) is 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride is Cc1nnc(-c2cc3c(OCC(C)O)cccc3o2)o1.Cl.
What is the InChIKey of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride?
The InChIKey is ARELRPHHQCJRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4.ClH/c1-8(17)7-18-11-4-3-5-12-10(11)6-13(20-12)14-16-15-9(2)19-14;/h3-6,8,17H,7H2,1-2H3;1H.
What are the key properties of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride?
1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride has a molecular weight of 310.74 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 142653320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).