2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

C157H226F4N18O6S2 — CID 159098555

IUPAC2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESC=C1OCCN1c1cc(C(C)C)ccc1F.CC(C)Cc1ncc(C(C)C)s1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(F)c(OCCO)c1.CC(C)c1ccc(N2CCOC2=O)cc1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C2CC2)n1.CCc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H16FNO.C12H15NO2.C12H19N.C11H16FNO.C11H15FO2.C10H13F.C10H14N2.C10H17NS.C10H14.C9H14N2.2C9H13N.3C8H12N2.C7H11NS/c1-9(2)11-4-5-12(14)13(8-11)15-6-7-16-10(15)3;1-9(2)10-3-5-11(6-4-10)13-7-8-15-12(13)14;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-3-4-10(12)11(7-9)14-6-5-13;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)5-10-11-6-9(12-10)8(3)4;1-8(2)10-6-4-9(3)5-7-10;1-4-9-10-6-5-8(11-9)7(2)3;2*1-7(2)9-4-5-10-8(3)6-9;3*1-6(2)8-4-5-9-7(3)10-8;1-5(2)7-4-8-6(3)9-7/h4-5,8-9H,3,6-7H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-9H,1-5H3;3-4,7-8,13-14H,5-6H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;6-8H,5H2,1-4H3;4-8H,1-3H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3
InChIKeyKCZCMHFONJSKAR-UHFFFAOYSA-N
MW2601.78 g/mol
LogP42.01
Rot. Bonds28

About 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 159098555) has the molecular formula C157H226F4N18O6S2 and a molecular weight of 2601.78 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID159098555
Molecular FormulaC157H226F4N18O6S2
Molecular Weight2601.78 g/mol
Exact Mass2599.73
IUPAC Name2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESC=C1OCCN1c1cc(C(C)C)ccc1F.CC(C)Cc1ncc(C(C)C)s1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(F)c(OCCO)c1.CC(C)c1ccc(N2CCOC2=O)cc1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C2CC2)n1.CCc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H16FNO.C12H15NO2.C12H19N.C11H16FNO.C11H15FO2.C10H13F.C10H14N2.C10H17NS.C10H14.C9H14N2.2C9H13N.3C8H12N2.C7H11NS/c1-9(2)11-4-5-12(14)13(8-11)15-6-7-16-10(15)3;1-9(2)10-3-5-11(6-4-10)13-7-8-15-12(13)14;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-3-4-10(12)11(7-9)14-6-5-13;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)5-10-11-6-9(12-10)8(3)4;1-8(2)10-6-4-9(3)5-7-10;1-4-9-10-6-5-8(11-9)7(2)3;2*1-7(2)9-4-5-10-8(3)6-9;3*1-6(2)8-4-5-9-7(3)10-8;1-5(2)7-4-8-6(3)9-7/h4-5,8-9H,3,6-7H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-9H,1-5H3;3-4,7-8,13-14H,5-6H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;6-8H,5H2,1-4H3;4-8H,1-3H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3
InChIKeyKCZCMHFONJSKAR-UHFFFAOYSA-N
XLogP42.01
TPSA297.08 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002601.78
LogP ≤ 542.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (CID 159098555) is 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is C=C1OCCN1c1cc(C(C)C)ccc1F.CC(C)Cc1ncc(C(C)C)s1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(F)c(OCCO)c1.CC(C)c1ccc(N2CCOC2=O)cc1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C2CC2)n1.CCc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is KCZCMHFONJSKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO.C12H15NO2.C12H19N.C11H16FNO.C11H15FO2.C10H13F.C10H14N2.C10H17NS.C10H14.C9H14N2.2C9H13N.3C8H12N2.C7H11NS/c1-9(2)11-4-5-12(14)13(8-11)15-6-7-16-10(15)3;1-9(2)10-3-5-11(6-4-10)13-7-8-15-12(13)14;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-3-4-10(12)11(7-9)14-6-5-13;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)5-10-11-6-9(12-10)8(3)4;1-8(2)10-6-4-9(3)5-7-10;1-4-9-10-6-5-8(11-9)7(2)3;2*1-7(2)9-4-5-10-8(3)6-9;3*1-6(2)8-4-5-9-7(3)10-8;1-5(2)7-4-8-6(3)9-7/h4-5,8-9H,3,6-7H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-9H,1-5H3;3-4,7-8,13-14H,5-6H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;6-8H,5H2,1-4H3;4-8H,1-3H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 2601.78 g/mol, XLogP of 42.01, 28 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 159098555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).