1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol

C11H10Cl2N2O2 — CID 63349689

IUPAC1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H10Cl2N2O2/c1-6(16)11-14-10(15-17-11)5-7-2-3-8(12)9(13)4-7/h2-4,6,16H,5H2,1H3
InChIKeyPSXSLJTXCNEFGZ-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.02
Rot. Bonds3

About 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol

1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63349689) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63349689
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H10Cl2N2O2/c1-6(16)11-14-10(15-17-11)5-7-2-3-8(12)9(13)4-7/h2-4,6,16H,5H2,1H3
InChIKeyPSXSLJTXCNEFGZ-UHFFFAOYSA-N
XLogP3.02
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55105697
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 63350906
(1R)-1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899404
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350776
ethyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79481675
(1S)-1-[3-[(3-bromo-4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 10852915
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349736
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349735
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349821
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66153347
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 55221994
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474355

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 63349689) is 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is PSXSLJTXCNEFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-6(16)11-14-10(15-17-11)5-7-2-3-8(12)9(13)4-7/h2-4,6,16H,5H2,1H3.
What are the key properties of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 273.12 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63349689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).