3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole

C18H15N5O3 — CID 71973500

IUPAC3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCc2nc(-c3cccnc3Oc3ccccc3)no2)n1
InChIInChI=1S/C18H15N5O3/c1-12-20-15(25-22-12)9-10-16-21-17(23-26-16)14-8-5-11-19-18(14)24-13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3
InChIKeyLWDGQXALQCWVTN-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.40
Rot. Bonds6

About 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 71973500) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
PubChem CID71973500
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCc2nc(-c3cccnc3Oc3ccccc3)no2)n1
InChIInChI=1S/C18H15N5O3/c1-12-20-15(25-22-12)9-10-16-21-17(23-26-16)14-8-5-11-19-18(14)24-13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3
InChIKeyLWDGQXALQCWVTN-UHFFFAOYSA-N
XLogP3.40
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole (CID 71973500) is 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole is Cc1noc(CCc2nc(-c3cccnc3Oc3ccccc3)no2)n1.
What is the InChIKey of 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is LWDGQXALQCWVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-12-20-15(25-22-12)9-10-16-21-17(23-26-16)14-8-5-11-19-18(14)24-13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 349.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71973500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).