5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole

C17H16BrN3O2 — CID 75385620

IUPAC5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)cc(C)c1-c1noc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C17H16BrN3O2/c1-10-7-11(2)19-17(22-3)15(10)16-20-14(23-21-16)9-12-5-4-6-13(18)8-12/h4-8H,9H2,1-3H3
InChIKeyFNTADQIBPBAKJR-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.11
Rot. Bonds4

About 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole

5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 75385620) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID75385620
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)cc(C)c1-c1noc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C17H16BrN3O2/c1-10-7-11(2)19-17(22-3)15(10)16-20-14(23-21-16)9-12-5-4-6-13(18)8-12/h4-8H,9H2,1-3H3
InChIKeyFNTADQIBPBAKJR-UHFFFAOYSA-N
XLogP4.11
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole (CID 75385620) is 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole is COc1nc(C)cc(C)c1-c1noc(Cc2cccc(Br)c2)n1.
What is the InChIKey of 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is FNTADQIBPBAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-10-7-11(2)19-17(22-3)15(10)16-20-14(23-21-16)9-12-5-4-6-13(18)8-12/h4-8H,9H2,1-3H3.
What are the key properties of 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 374.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75385620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).