5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol

C14H17ClN2O4S — CID 111104870

IUPAC5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol
SMILESO=S(=O)(CCCCCO)Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2O4S/c15-12-6-4-11(5-7-12)14-16-13(17-21-14)10-22(19,20)9-3-1-2-8-18/h4-7,18H,1-3,8-10H2
InChIKeyLASCISZJDKMUJN-UHFFFAOYSA-N
MW344.82 g/mol
LogP2.47
Rot. Bonds8

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

5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol (PubChem CID 111104870) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol
PubChem CID111104870
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol
SMILESO=S(=O)(CCCCCO)Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2O4S/c15-12-6-4-11(5-7-12)14-16-13(17-21-14)10-22(19,20)9-3-1-2-8-18/h4-7,18H,1-3,8-10H2
InChIKeyLASCISZJDKMUJN-UHFFFAOYSA-N
XLogP2.47
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
CID 55746494
3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-2-methylpropan-1-ol
CID 111469816
5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 2819964
3-[(4-chlorophenyl)sulfonylmethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2743806
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55704982
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol
CID 102677203
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetic acid
CID 43442524
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43352454
3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 111472477
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249354

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol?
The IUPAC name of 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol (CID 111104870) is 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol is O=S(=O)(CCCCCO)Cc1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol?
The InChIKey is LASCISZJDKMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c15-12-6-4-11(5-7-12)14-16-13(17-21-14)10-22(19,20)9-3-1-2-8-18/h4-7,18H,1-3,8-10H2.
What are the key properties of 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol?
5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol has a molecular weight of 344.82 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol is sourced from PubChem (CID 111104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).