2-(1,3,4-oxadiazol-2-yl)phenol;propane

C11H14N2O2 — CID 158799675

IUPAC2-(1,3,4-oxadiazol-2-yl)phenol;propane
SMILESCCC.Oc1ccccc1-c1nnco1
InChIInChI=1S/C8H6N2O2.C3H8/c11-7-4-2-1-3-6(7)8-10-9-5-12-8;1-3-2/h1-5,11H;3H2,1-2H3
InChIKeyITHYJNABKUSJRA-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.86
Rot. Bonds1

About 2-(1,3,4-oxadiazol-2-yl)phenol;propane

2-(1,3,4-oxadiazol-2-yl)phenol;propane (PubChem CID 158799675) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(1,3,4-oxadiazol-2-yl)phenol;propane.

Molecular Properties

Compound Name2-(1,3,4-oxadiazol-2-yl)phenol;propane
PubChem CID158799675
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(1,3,4-oxadiazol-2-yl)phenol;propane
SMILESCCC.Oc1ccccc1-c1nnco1
InChIInChI=1S/C8H6N2O2.C3H8/c11-7-4-2-1-3-6(7)8-10-9-5-12-8;1-3-2/h1-5,11H;3H2,1-2H3
InChIKeyITHYJNABKUSJRA-UHFFFAOYSA-N
XLogP2.86
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3,4-oxadiazol-2-yl)phenol
CID 13883
2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole
CID 117061254
2-(2-phenoxyphenyl)-1,3,4-oxadiazole
CID 20632510
2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 107951352
2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide
CID 53071580
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 87045574
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 97243462
2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 118464988
2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol
CID 105472480
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-oxadiazol-2-yl)phenol;propane?
The IUPAC name of 2-(1,3,4-oxadiazol-2-yl)phenol;propane (CID 158799675) is 2-(1,3,4-oxadiazol-2-yl)phenol;propane.
What is the SMILES notation for 2-(1,3,4-oxadiazol-2-yl)phenol;propane?
The canonical SMILES for 2-(1,3,4-oxadiazol-2-yl)phenol;propane is CCC.Oc1ccccc1-c1nnco1.
What is the InChIKey of 2-(1,3,4-oxadiazol-2-yl)phenol;propane?
The InChIKey is ITHYJNABKUSJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C3H8/c11-7-4-2-1-3-6(7)8-10-9-5-12-8;1-3-2/h1-5,11H;3H2,1-2H3.
What are the key properties of 2-(1,3,4-oxadiazol-2-yl)phenol;propane?
2-(1,3,4-oxadiazol-2-yl)phenol;propane has a molecular weight of 206.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-oxadiazol-2-yl)phenol;propane is sourced from PubChem (CID 158799675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).