3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole

C20H20ClN3O2 — CID 141439096

IUPAC3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(-c3cc(C)cc(Cl)c3)no2)cc(C2CCCC2)n1
InChIInChI=1S/C20H20ClN3O2/c1-12-7-14(9-16(21)8-12)19-23-20(26-24-19)15-10-17(13-5-3-4-6-13)22-18(11-15)25-2/h7-11,13H,3-6H2,1-2H3
InChIKeyAATYHUJAJCDPIL-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.43
Rot. Bonds4

About 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole

3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 141439096) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID141439096
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(-c3cc(C)cc(Cl)c3)no2)cc(C2CCCC2)n1
InChIInChI=1S/C20H20ClN3O2/c1-12-7-14(9-16(21)8-12)19-23-20(26-24-19)15-10-17(13-5-3-4-6-13)22-18(11-15)25-2/h7-11,13H,3-6H2,1-2H3
InChIKeyAATYHUJAJCDPIL-UHFFFAOYSA-N
XLogP5.43
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-cyclohexyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 141285101
1-[3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propylamino]ethanol
CID 172808483
(4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide
CID 140634640
[1-[(2S)-3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]azetidin-3-yl] hydrogen carbonate
CID 118113821
5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572269
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 81325124
5-(3-chloro-5-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 80979027
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 155951530
ethyl 5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 81324814
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971869
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
CID 114937710

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole (CID 141439096) is 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole is COc1cc(-c2nc(-c3cc(C)cc(Cl)c3)no2)cc(C2CCCC2)n1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is AATYHUJAJCDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12-7-14(9-16(21)8-12)19-23-20(26-24-19)15-10-17(13-5-3-4-6-13)22-18(11-15)25-2/h7-11,13H,3-6H2,1-2H3.
What are the key properties of 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 369.85 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 141439096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).