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

C14H10BrN3O2S — CID 66145476

IUPAC5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(CSc3ccccc3Br)no2)c1
InChIInChI=1S/C14H10BrN3O2S/c15-11-3-1-2-4-12(11)21-8-13-17-14(20-18-13)9-5-10(19)7-16-6-9/h1-7,19H,8H2
InChIKeyZGJRFAYISWOLJQ-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.89
Rot. Bonds4

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

5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 66145476) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID66145476
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(CSc3ccccc3Br)no2)c1
InChIInChI=1S/C14H10BrN3O2S/c15-11-3-1-2-4-12(11)21-8-13-17-14(20-18-13)9-5-10(19)7-16-6-9/h1-7,19H,8H2
InChIKeyZGJRFAYISWOLJQ-UHFFFAOYSA-N
XLogP3.89
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 66143046
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845583
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66143050
2-[[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 106525652
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 106815773
1-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 66143335
2-[[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79464456
2-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 66142750
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 66142384
5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66140184
2-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 66144889

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 66145476) is 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Oc1cncc(-c2nc(CSc3ccccc3Br)no2)c1.
What is the InChIKey of 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is ZGJRFAYISWOLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c15-11-3-1-2-4-12(11)21-8-13-17-14(20-18-13)9-5-10(19)7-16-6-9/h1-7,19H,8H2.
What are the key properties of 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 364.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 66145476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).