2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole

C116H168N16O5S2 — CID 158829605

IUPAC2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESC.C.C.C.C.CC(C)c1cccnc1.CC(C)c1nc(-c2ccccc2)no1.CC(C)c1nc(-c2ccncc2)no1.CC(C)c1nc(COc2ccccc2)no1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(N2CCCCC2)s1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C12H14N2O2.C12H13NS.C11H12N2O.C11H18N2S.C10H11N3O.2C10H15N.C9H13NO.2C9H13N.C8H11N.5CH4/c1-9(2)12-13-11(14-16-12)8-15-10-6-4-3-5-7-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)10-12-9(13-14-10)8-3-5-11-6-4-8;1-7(2)10-5-8(3)9(4)11-6-10;1-4-10-6-5-9(7-11-10)8(2)3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8;;;;;/h3-7,9H,8H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;5*1H4
InChIKeyIWWMTFSVOAPFSH-UHFFFAOYSA-N
MW1930.86 g/mol
LogP33.29
Rot. Bonds20

About 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole

2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158829605) has the molecular formula C116H168N16O5S2 and a molecular weight of 1930.86 g/mol. Its IUPAC name is 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID158829605
Molecular FormulaC116H168N16O5S2
Molecular Weight1930.86 g/mol
Exact Mass1929.28
IUPAC Name2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESC.C.C.C.C.CC(C)c1cccnc1.CC(C)c1nc(-c2ccccc2)no1.CC(C)c1nc(-c2ccncc2)no1.CC(C)c1nc(COc2ccccc2)no1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(N2CCCCC2)s1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C12H14N2O2.C12H13NS.C11H12N2O.C11H18N2S.C10H11N3O.2C10H15N.C9H13NO.2C9H13N.C8H11N.5CH4/c1-9(2)12-13-11(14-16-12)8-15-10-6-4-3-5-7-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)10-12-9(13-14-10)8-3-5-11-6-4-8;1-7(2)10-5-8(3)9(4)11-6-10;1-4-10-6-5-9(7-11-10)8(2)3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8;;;;;/h3-7,9H,8H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;5*1H4
InChIKeyIWWMTFSVOAPFSH-UHFFFAOYSA-N
XLogP33.29
TPSA254.47 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.86
LogP ≤ 533.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158829605) is 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole is C.C.C.C.C.CC(C)c1cccnc1.CC(C)c1nc(-c2ccccc2)no1.CC(C)c1nc(-c2ccncc2)no1.CC(C)c1nc(COc2ccccc2)no1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(N2CCCCC2)s1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.
What is the InChIKey of 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is IWWMTFSVOAPFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C12H13NS.C11H12N2O.C11H18N2S.C10H11N3O.2C10H15N.C9H13NO.2C9H13N.C8H11N.5CH4/c1-9(2)12-13-11(14-16-12)8-15-10-6-4-3-5-7-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)10-12-9(13-14-10)8-3-5-11-6-4-8;1-7(2)10-5-8(3)9(4)11-6-10;1-4-10-6-5-9(7-11-10)8(2)3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8;;;;;/h3-7,9H,8H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;5*1H4.
What are the key properties of 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1930.86 g/mol, XLogP of 33.29, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-(phenoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158829605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).