5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole

C19H21N3O2 — CID 146297070

IUPAC5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccnc(CC(C)C)c2)no1
InChIInChI=1S/C19H21N3O2/c1-4-23-17-8-6-5-7-16(17)19-21-18(22-24-19)14-9-10-20-15(12-14)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyMVZSIURGOZTHKT-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.40
Rot. Bonds6

About 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole

5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 146297070) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID146297070
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccnc(CC(C)C)c2)no1
InChIInChI=1S/C19H21N3O2/c1-4-23-17-8-6-5-7-16(17)19-21-18(22-24-19)14-9-10-20-15(12-14)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyMVZSIURGOZTHKT-UHFFFAOYSA-N
XLogP4.40
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030882
N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342561
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660254
5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 75483087
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole (CID 146297070) is 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2ccnc(CC(C)C)c2)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is MVZSIURGOZTHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-23-17-8-6-5-7-16(17)19-21-18(22-24-19)14-9-10-20-15(12-14)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146297070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).