5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide

C13H11BrN4O2 — CID 68679658

IUPAC5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide
SMILESBr.Nc1nnc(-c2ccc(Oc3cccnc3)cc2)o1
InChIInChI=1S/C13H10N4O2.BrH/c14-13-17-16-12(19-13)9-3-5-10(6-4-9)18-11-2-1-7-15-8-11;/h1-8H,(H2,14,17);1H
InChIKeyKKKFVFKCMHTRHF-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.08
Rot. Bonds3

About 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide

5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide (PubChem CID 68679658) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide
PubChem CID68679658
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide
SMILESBr.Nc1nnc(-c2ccc(Oc3cccnc3)cc2)o1
InChIInChI=1S/C13H10N4O2.BrH/c14-13-17-16-12(19-13)9-3-5-10(6-4-9)18-11-2-1-7-15-8-11;/h1-8H,(H2,14,17);1H
InChIKeyKKKFVFKCMHTRHF-UHFFFAOYSA-N
XLogP3.08
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-Ethoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647166
4-[5-(4-Isobutoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647974
4-[5-(4-Propoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647581
4-[5-(4-Butoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 652370
2-(4-Methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 865615
2-(4-Pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole
CID 2545881
2-Pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2744772
1-[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 38030847
2-Pyridin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2744773
5-[4-Chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 44571238
4-ethoxy-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4134439
4-butoxy-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4454499

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide?
The IUPAC name of 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide (CID 68679658) is 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide.
What is the SMILES notation for 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide?
The canonical SMILES for 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide is Br.Nc1nnc(-c2ccc(Oc3cccnc3)cc2)o1.
What is the InChIKey of 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide?
The InChIKey is KKKFVFKCMHTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2.BrH/c14-13-17-16-12(19-13)9-3-5-10(6-4-9)18-11-2-1-7-15-8-11;/h1-8H,(H2,14,17);1H.
What are the key properties of 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide?
5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide has a molecular weight of 335.16 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide is sourced from PubChem (CID 68679658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).