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

C113H122F9N23O3S — CID 158015027

IUPAC5-(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
SMILESCC(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.CCNc1nnc(-c2cc(F)c(C(C)C)cc2F)o1.CCNc1nnc(-c2ccc(C(C)C)c(F)c2)o1.CCNc1nnc(-c2ccc(C(C)C)cc2F)o1
InChIInChI=1S/C13H15F2N3O.2C13H12F2N2.2C13H16FN3O.C13H13FN2.C13H14N2.C12H13N3.C10H11N3S/c1-4-16-13-18-17-12(19-13)9-6-10(14)8(7(2)3)5-11(9)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;1-4-15-13-17-16-12(18-13)10-6-5-9(8(2)3)7-11(10)14;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/h5-7H,4H2,1-3H3,(H,16,18);2*3-8H,1-2H3;2*5-8H,4H2,1-3H3,(H,15,17);3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-7H,1-2H3
InChIKeyFFIRZIZZVIWHNO-UHFFFAOYSA-N
MW2053.43 g/mol
LogP29.58
Rot. Bonds24

About 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

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 (PubChem CID 158015027) has the molecular formula C113H122F9N23O3S and a molecular weight of 2053.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID158015027
Molecular FormulaC113H122F9N23O3S
Molecular Weight2053.43 g/mol
Exact Mass2051.97
IUPAC Name5-(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
SMILESCC(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.CCNc1nnc(-c2cc(F)c(C(C)C)cc2F)o1.CCNc1nnc(-c2ccc(C(C)C)c(F)c2)o1.CCNc1nnc(-c2ccc(C(C)C)cc2F)o1
InChIInChI=1S/C13H15F2N3O.2C13H12F2N2.2C13H16FN3O.C13H13FN2.C13H14N2.C12H13N3.C10H11N3S/c1-4-16-13-18-17-12(19-13)9-6-10(14)8(7(2)3)5-11(9)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;1-4-15-13-17-16-12(18-13)10-6-5-9(8(2)3)7-11(10)14;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/h5-7H,4H2,1-3H3,(H,16,18);2*3-8H,1-2H3;2*5-8H,4H2,1-3H3,(H,15,17);3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-7H,1-2H3
InChIKeyFFIRZIZZVIWHNO-UHFFFAOYSA-N
XLogP29.58
TPSA333.31 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.43
LogP ≤ 529.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.CCNc1nnc(-c2cc(F)c(C(C)C)cc2F)o1.CCNc1nnc(-c2ccc(C(C)C)c(F)c2)o1.CCNc1nnc(-c2ccc(C(C)C)cc2F)o1.
What is the InChIKey of 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?
The InChIKey is FFIRZIZZVIWHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O.2C13H12F2N2.2C13H16FN3O.C13H13FN2.C13H14N2.C12H13N3.C10H11N3S/c1-4-16-13-18-17-12(19-13)9-6-10(14)8(7(2)3)5-11(9)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;1-4-15-13-17-16-12(18-13)10-6-5-9(8(2)3)7-11(10)14;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/h5-7H,4H2,1-3H3,(H,16,18);2*3-8H,1-2H3;2*5-8H,4H2,1-3H3,(H,15,17);3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-7H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2053.43 g/mol, XLogP of 29.58, 24 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158015027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).