2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole

C116H128F9N21O3S — CID 158585348

IUPAC2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
SMILESC.CC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)cn1.CC(C)c1ncc(-c2ncccn2)s1.CCCc1nnc(-c2cc(F)c(C(C)C)cc2F)o1.CCCc1nnc(-c2ccc(C(C)C)cc2F)o1.CCNc1nnc(-c2ccc(C(C)C)c(F)c2)o1
InChIInChI=1S/C14H16F2N2O.C14H17FN2O.2C13H12F2N2.C13H16FN3O.C13H13FN2.C13H14N2.C12H13N3.C10H11N3S.CH4/c1-4-5-13-17-18-14(19-13)10-7-11(15)9(8(2)3)6-12(10)16;1-4-5-13-16-17-14(18-13)11-7-6-10(9(2)3)8-12(11)15;2*1-8(2)9-6-12(15)10(7-11(9)14)13-16-4-3-5-17-13;1-4-15-13-17-16-12(18-13)9-5-6-10(8(2)3)11(14)7-9;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-9(2)11-5-4-10(8-15-11)12-13-6-3-7-14-12;1-7(2)10-13-6-8(14-10)9-11-4-3-5-12-9;/h6-8H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;2*3-8H,1-2H3;5-8H,4H2,1-3H3,(H,15,17);3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-7H,1-2H3;1H4
InChIKeyHTTJMRQHRRHGPA-UHFFFAOYSA-N
MW2067.49 g/mol
LogP31.26
Rot. Bonds24

About 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole

2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole (PubChem CID 158585348) has the molecular formula C116H128F9N21O3S and a molecular weight of 2067.49 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
PubChem CID158585348
Molecular FormulaC116H128F9N21O3S
Molecular Weight2067.49 g/mol
Exact Mass2066.01
IUPAC Name2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
SMILESC.CC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)cn1.CC(C)c1ncc(-c2ncccn2)s1.CCCc1nnc(-c2cc(F)c(C(C)C)cc2F)o1.CCCc1nnc(-c2ccc(C(C)C)cc2F)o1.CCNc1nnc(-c2ccc(C(C)C)c(F)c2)o1
InChIInChI=1S/C14H16F2N2O.C14H17FN2O.2C13H12F2N2.C13H16FN3O.C13H13FN2.C13H14N2.C12H13N3.C10H11N3S.CH4/c1-4-5-13-17-18-14(19-13)10-7-11(15)9(8(2)3)6-12(10)16;1-4-5-13-16-17-14(18-13)11-7-6-10(9(2)3)8-12(11)15;2*1-8(2)9-6-12(15)10(7-11(9)14)13-16-4-3-5-17-13;1-4-15-13-17-16-12(18-13)9-5-6-10(8(2)3)11(14)7-9;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-9(2)11-5-4-10(8-15-11)12-13-6-3-7-14-12;1-7(2)10-13-6-8(14-10)9-11-4-3-5-12-9;/h6-8H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;2*3-8H,1-2H3;5-8H,4H2,1-3H3,(H,15,17);3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-7H,1-2H3;1H4
InChIKeyHTTJMRQHRRHGPA-UHFFFAOYSA-N
XLogP31.26
TPSA309.25 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.49
LogP ≤ 531.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole with MolForge

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Related Compounds

5-(2,5-difluoro-4-propan-2-ylphenyl)-N-ethyl-1,3,4-oxadiazol-2-amine;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(2-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
CID 158015027
2-Benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-propan-2-ylpyrimidine);3-phenyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 159468968
2-(2,5-Difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
CID 160112212
5-(2,5-difluoro-4-propan-2-ylphenyl)-N-ethyl-1,3,4-oxadiazol-2-amine;2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;N-ethyl-5-(2-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole
CID 160127594
5-(2,5-difluoro-4-propan-2-ylphenyl)-N-ethyl-1,3,4-oxadiazol-2-amine;2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine
CID 160208456
5-Ethyl-2-propan-2-ylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;methane;2-propan-2-yl-1,3-benzothiazole;6-(4-propan-2-ylphenyl)pyridazin-3-amine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;6-propan-2-ylquinoxaline;2-(5-propan-2-ylthiophen-2-yl)pyrimidine
CID 160674505
4-tert-butylbenzamide;tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-5-ethylpyridine;2-tert-butyl-5-ethylpyrimidine;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methyltetrazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;2-(6-tert-butyl-3-pyridinyl)acetic acid;bis(2-tert-butylpyrimidine);5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;tris(carbon dioxide)
CID 176547288

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole (CID 158585348) is 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole is C.CC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)cn1.CC(C)c1ncc(-c2ncccn2)s1.CCCc1nnc(-c2cc(F)c(C(C)C)cc2F)o1.CCCc1nnc(-c2ccc(C(C)C)cc2F)o1.CCNc1nnc(-c2ccc(C(C)C)c(F)c2)o1.
What is the InChIKey of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is HTTJMRQHRRHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O.C14H17FN2O.2C13H12F2N2.C13H16FN3O.C13H13FN2.C13H14N2.C12H13N3.C10H11N3S.CH4/c1-4-5-13-17-18-14(19-13)10-7-11(15)9(8(2)3)6-12(10)16;1-4-5-13-16-17-14(18-13)11-7-6-10(9(2)3)8-12(11)15;2*1-8(2)9-6-12(15)10(7-11(9)14)13-16-4-3-5-17-13;1-4-15-13-17-16-12(18-13)9-5-6-10(8(2)3)11(14)7-9;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-9(2)11-5-4-10(8-15-11)12-13-6-3-7-14-12;1-7(2)10-13-6-8(14-10)9-11-4-3-5-12-9;/h6-8H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;2*3-8H,1-2H3;5-8H,4H2,1-3H3,(H,15,17);3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-7H,1-2H3;1H4.
What are the key properties of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole?
2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 2067.49 g/mol, XLogP of 31.26, 24 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);N-ethyl-5-(3-fluoro-4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine;2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 158585348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).