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

C13H15ClN2O2 — CID 63349638

IUPAC1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C13H15ClN2O2/c1-2-10(17)8-13-15-12(16-18-13)7-9-5-3-4-6-11(9)14/h3-6,10,17H,2,7-8H2,1H3
InChIKeyYDTXUDHHPCAAQE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.63
Rot. Bonds5

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

1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63349638) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63349638
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C13H15ClN2O2/c1-2-10(17)8-13-15-12(16-18-13)7-9-5-3-4-6-11(9)14/h3-6,10,17H,2,7-8H2,1H3
InChIKeyYDTXUDHHPCAAQE-UHFFFAOYSA-N
XLogP2.63
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349681
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349792
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63349919
N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 26326386
1-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 66143335
3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 96592622
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 81491862
1-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349429
(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120834323
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
CID 119947686

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63349638) is 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol is CCC(O)Cc1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is YDTXUDHHPCAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-10(17)8-13-15-12(16-18-13)7-9-5-3-4-6-11(9)14/h3-6,10,17H,2,7-8H2,1H3.
What are the key properties of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 266.73 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 63349638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).