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

C14H16Cl2N2O2 — CID 63349735

IUPAC1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-3-10(19)8-14-17-13(18-20-14)7-9-4-5-11(15)12(16)6-9/h4-6,10,19H,2-3,7-8H2,1H3
InChIKeySDGDHHMDBVCNTJ-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.67
Rot. Bonds6

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

1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63349735) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63349735
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-3-10(19)8-14-17-13(18-20-14)7-9-4-5-11(15)12(16)6-9/h4-6,10,19H,2-3,7-8H2,1H3
InChIKeySDGDHHMDBVCNTJ-UHFFFAOYSA-N
XLogP3.67
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349821
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349736
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55202789
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 55221760
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474355
1-amino-3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002579
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 63345293
ethyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79481675
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349638
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349395
1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 55200671

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63349735) is 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is SDGDHHMDBVCNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-3-10(19)8-14-17-13(18-20-14)7-9-4-5-11(15)12(16)6-9/h4-6,10,19H,2-3,7-8H2,1H3.
What are the key properties of 1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 315.20 g/mol, XLogP of 3.67, 6 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]pentan-2-ol is sourced from PubChem (CID 63349735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).