2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

C16H15N3O2 — CID 99962666

IUPAC2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCCOc1ncccc1-c1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C16H15N3O2/c1-3-20-15-13(8-5-9-17-15)16-19-18-14(21-16)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyIGXSEORJFKXRDW-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.51
Rot. Bonds4

About 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 99962666) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID99962666
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCCOc1ncccc1-c1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C16H15N3O2/c1-3-20-15-13(8-5-9-17-15)16-19-18-14(21-16)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyIGXSEORJFKXRDW-UHFFFAOYSA-N
XLogP3.51
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 56697618
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole
CID 177007625
2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 655421
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
2-(3-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 861640
[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
CID 140530165
2-[(4-ethylsulfanylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 23660823
2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655612

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 99962666) is 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is CCOc1ncccc1-c1nnc(-c2cccc(C)c2)o1.
What is the InChIKey of 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is IGXSEORJFKXRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-20-15-13(8-5-9-17-15)16-19-18-14(21-16)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 281.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).