5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C14H10ClN3O2S — CID 66143046

IUPAC5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(CSc3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C14H10ClN3O2S/c15-10-1-3-12(4-2-10)21-8-13-17-14(20-18-13)9-5-11(19)7-16-6-9/h1-7,19H,8H2
InChIKeyGMHAPINEQAYEGQ-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.78
Rot. Bonds4

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

5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 66143046) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID66143046
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(CSc3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C14H10ClN3O2S/c15-10-1-3-12(4-2-10)21-8-13-17-14(20-18-13)9-5-11(19)7-16-6-9/h1-7,19H,8H2
InChIKeyGMHAPINEQAYEGQ-UHFFFAOYSA-N
XLogP3.78
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845583
5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 66145476
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
5-(chloromethyl)-3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 20566316
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 106815773
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743037
3-[(4-bromophenyl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 54095590
2-fluoro-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 79141214
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845407
3-amino-1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837079
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249354
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 66143046) is 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Oc1cncc(-c2nc(CSc3ccc(Cl)cc3)no2)c1.
What is the InChIKey of 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is GMHAPINEQAYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-10-1-3-12(4-2-10)21-8-13-17-14(20-18-13)9-5-11(19)7-16-6-9/h1-7,19H,8H2.
What are the key properties of 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 319.77 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 66143046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).