1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol

C13H15ClN2O3 — CID 63349681

IUPAC1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C13H15ClN2O3/c1-18-8-10(17)7-13-15-12(16-19-13)6-9-4-2-3-5-11(9)14/h2-5,10,17H,6-8H2,1H3
InChIKeyDJODSTWCGBWAHW-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.86
Rot. Bonds6

About 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol

1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol (PubChem CID 63349681) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
PubChem CID63349681
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C13H15ClN2O3/c1-18-8-10(17)7-13-15-12(16-19-13)6-9-4-2-3-5-11(9)14/h2-5,10,17H,6-8H2,1H3
InChIKeyDJODSTWCGBWAHW-UHFFFAOYSA-N
XLogP1.86
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol (CID 63349681) is 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol is COCC(O)Cc1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The InChIKey is DJODSTWCGBWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-18-8-10(17)7-13-15-12(16-19-13)6-9-4-2-3-5-11(9)14/h2-5,10,17H,6-8H2,1H3.
What are the key properties of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol has a molecular weight of 282.73 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 63349681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).