(1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol

C13H15ClN2O6 — CID 10758847

IUPAC(1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H15ClN2O6/c14-7-3-1-6(2-4-7)12-15-16-13(22-12)11(21)10(20)9(19)8(18)5-17/h1-4,8-11,17-21H,5H2/t8-,9+,10+,11-/m1/s1
InChIKeyPUEPUEIIZAQMQU-VPOLOUISSA-N
MW330.72 g/mol
LogP-0.50
Rot. Bonds6

About (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol

(1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol (PubChem CID 10758847) has the molecular formula C13H15ClN2O6 and a molecular weight of 330.72 g/mol. Its IUPAC name is (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol
PubChem CID10758847
Molecular FormulaC13H15ClN2O6
Molecular Weight330.72 g/mol
Exact Mass330.06
IUPAC Name(1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H15ClN2O6/c14-7-3-1-6(2-4-7)12-15-16-13(22-12)11(21)10(20)9(19)8(18)5-17/h1-4,8-11,17-21H,5H2/t8-,9+,10+,11-/m1/s1
InChIKeyPUEPUEIIZAQMQU-VPOLOUISSA-N
XLogP-0.50
TPSA140.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 5-0.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2123355
(2R)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 97078393
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole
CID 43913123
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104448
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chlorophenoxy)acetate
CID 9229442
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 22434180
2-(4-chlorophenyl)-N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 92707754
(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol
CID 70129441
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride
CID 70129437

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol?
The IUPAC name of (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol (CID 10758847) is (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol?
The canonical SMILES for (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol is OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol?
The InChIKey is PUEPUEIIZAQMQU-VPOLOUISSA-N. The full InChI is InChI=1S/C13H15ClN2O6/c14-7-3-1-6(2-4-7)12-15-16-13(22-12)11(21)10(20)9(19)8(18)5-17/h1-4,8-11,17-21H,5H2/t8-,9+,10+,11-/m1/s1.
What are the key properties of (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol?
(1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol has a molecular weight of 330.72 g/mol, XLogP of -0.50, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 10758847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).