3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole

C119H120Cl2FN17O17 — CID 159090583

IUPAC3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole
SMILESCCOc1ncccc1-c1cc(C)on1.COc1c(F)cccc1-c1cc(C)on1.COc1ccccc1-c1cc(C)on1.COc1ccccc1-c1noc(C)n1.COc1ncccc1-c1cc(C)on1.Cc1cc(-c2cccc(C)c2C)no1.Cc1cc(-c2cccc(Cl)c2C)no1.Cc1cc(-c2cccnc2OC(C)C)no1.Cc1cc(C)cc(-c2cc(C)on2)c1.Cc1nc(-c2cccc(Cl)c2C)no1.Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N2O2.2C12H13NO.C11H10ClNO.C11H10FNO2.C11H12N2O2.C11H11NO2.C10H9ClN2O.2C10H10N2O2.C9H8N2O/c1-8(2)15-12-10(5-4-6-13-12)11-7-9(3)16-14-11;1-8-4-9(2)6-11(5-8)12-7-10(3)14-13-12;1-8-5-4-6-11(10(8)3)12-7-9(2)14-13-12;1-7-6-11(13-14-7)9-4-3-5-10(12)8(9)2;1-7-6-10(13-15-7)8-4-3-5-9(12)11(8)14-2;1-3-14-11-9(5-4-6-12-11)10-7-8(2)15-13-10;1-8-7-10(12-14-8)9-5-3-4-6-11(9)13-2;1-6-8(4-3-5-9(6)11)10-12-7(2)14-13-10;1-7-6-9(12-14-7)8-4-3-5-11-10(8)13-2;1-7-11-10(12-14-7)8-5-3-4-6-9(8)13-2;1-7-10-9(11-12-7)8-5-3-2-4-6-8/h4-8H,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,3H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;2-6H,1H3
InChIKeyKBZZAELAJOVFMQ-UHFFFAOYSA-N
MW2150.27 g/mol
LogP30.04
Rot. Bonds19

About 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole

3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole (PubChem CID 159090583) has the molecular formula C119H120Cl2FN17O17 and a molecular weight of 2150.27 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole
PubChem CID159090583
Molecular FormulaC119H120Cl2FN17O17
Molecular Weight2150.27 g/mol
Exact Mass2147.84
IUPAC Name3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole
SMILESCCOc1ncccc1-c1cc(C)on1.COc1c(F)cccc1-c1cc(C)on1.COc1ccccc1-c1cc(C)on1.COc1ccccc1-c1noc(C)n1.COc1ncccc1-c1cc(C)on1.Cc1cc(-c2cccc(C)c2C)no1.Cc1cc(-c2cccc(Cl)c2C)no1.Cc1cc(-c2cccnc2OC(C)C)no1.Cc1cc(C)cc(-c2cc(C)on2)c1.Cc1nc(-c2cccc(Cl)c2C)no1.Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N2O2.2C12H13NO.C11H10ClNO.C11H10FNO2.C11H12N2O2.C11H11NO2.C10H9ClN2O.2C10H10N2O2.C9H8N2O/c1-8(2)15-12-10(5-4-6-13-12)11-7-9(3)16-14-11;1-8-4-9(2)6-11(5-8)12-7-10(3)14-13-12;1-8-5-4-6-11(10(8)3)12-7-9(2)14-13-12;1-7-6-11(13-14-7)9-4-3-5-10(12)8(9)2;1-7-6-10(13-15-7)8-4-3-5-9(12)11(8)14-2;1-3-14-11-9(5-4-6-12-11)10-7-8(2)15-13-10;1-8-7-10(12-14-8)9-5-3-4-6-11(9)13-2;1-6-8(4-3-5-9(6)11)10-12-7(2)14-13-10;1-7-6-9(12-14-7)8-4-3-5-11-10(8)13-2;1-7-11-10(12-14-7)8-5-3-4-6-9(8)13-2;1-7-10-9(11-12-7)8-5-3-2-4-6-8/h4-8H,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,3H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;2-6H,1H3
InChIKeyKBZZAELAJOVFMQ-UHFFFAOYSA-N
XLogP30.04
TPSA419.05 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002150.27
LogP ≤ 530.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole (CID 159090583) is 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole is CCOc1ncccc1-c1cc(C)on1.COc1c(F)cccc1-c1cc(C)on1.COc1ccccc1-c1cc(C)on1.COc1ccccc1-c1noc(C)n1.COc1ncccc1-c1cc(C)on1.Cc1cc(-c2cccc(C)c2C)no1.Cc1cc(-c2cccc(Cl)c2C)no1.Cc1cc(-c2cccnc2OC(C)C)no1.Cc1cc(C)cc(-c2cc(C)on2)c1.Cc1nc(-c2cccc(Cl)c2C)no1.Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole?
The InChIKey is KBZZAELAJOVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.2C12H13NO.C11H10ClNO.C11H10FNO2.C11H12N2O2.C11H11NO2.C10H9ClN2O.2C10H10N2O2.C9H8N2O/c1-8(2)15-12-10(5-4-6-13-12)11-7-9(3)16-14-11;1-8-4-9(2)6-11(5-8)12-7-10(3)14-13-12;1-8-5-4-6-11(10(8)3)12-7-9(2)14-13-12;1-7-6-11(13-14-7)9-4-3-5-10(12)8(9)2;1-7-6-10(13-15-7)8-4-3-5-9(12)11(8)14-2;1-3-14-11-9(5-4-6-12-11)10-7-8(2)15-13-10;1-8-7-10(12-14-8)9-5-3-4-6-11(9)13-2;1-6-8(4-3-5-9(6)11)10-12-7(2)14-13-10;1-7-6-9(12-14-7)8-4-3-5-11-10(8)13-2;1-7-11-10(12-14-7)8-5-3-4-6-9(8)13-2;1-7-10-9(11-12-7)8-5-3-2-4-6-8/h4-8H,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,3H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;2-6H,1H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole?
3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole has a molecular weight of 2150.27 g/mol, XLogP of 30.04, 19 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-5-methyl-1,2,4-oxadiazole;3-(3-chloro-2-methylphenyl)-5-methyl-1,2-oxazole;3-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole;3-(3,5-dimethylphenyl)-5-methyl-1,2-oxazole;3-(2-ethoxy-3-pyridinyl)-5-methyl-1,2-oxazole;3-(3-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-methyl-1,2-oxazole;3-(2-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(2-propan-2-yloxy-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 159090583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).