2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

C94H100F3N27O7 — CID 161413194

About 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 161413194) has the molecular formula C94H100F3N27O7 and a molecular weight of 1777.01 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 161413194
• Molecular Formula: C94H100F3N27O7
• Molecular Weight: 1777.01 g/mol
• Exact Mass: 1775.83
• IUPAC Name: 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnco2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc3)C3CC3)no2)cn1.CNc1ccc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)cn1.Cc1n[nH]c(C)c1-c1nc(C(C)(c2ccc(-c3cnc(N)nc3)cc2)C(C)C)no1
• InChI: InChI=1S/C26H26F3N7O2.C26H29N7O2.C22H25N7O.C20H20N6O2/c1-25(19-8-9-19,24-33-23(38-34-24)17-12-32-36(13-17)14-21(37)35(2)3)18-6-4-15(5-7-18)16-10-20(26(27,28)29)22(30)31-11-16;1-26(21-10-11-21,20-8-5-17(6-9-20)18-7-12-22(27-2)28-13-18)25-30-24(35-31-25)19-14-29-33(15-19)16-23(34)32(3)4;1-12(2)22(5,20-26-19(30-29-20)18-13(3)27-28-14(18)4)17-8-6-15(7-9-17)16-10-24-21(23)25-11-16;1-12(2)20(3,18-25-17(28-26-18)16-10-22-11-27-16)15-6-4-13(5-7-15)14-8-23-19(21)24-9-14/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,30,31);5-9,12-15,21H,10-11,16H2,1-4H3,(H,27,28);6-12H,1-5H3,(H,27,28)(H2,23,24,25);4-12H,1-3H3,(H2,21,23,24)/t25-;26-;;/m00../s1
• InChIKey: VVSZHFFHQWVHRM-KPFIGKSLSA-N
• XLogP: 16.04
• TPSA: 454.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.01
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (CID 161413194) is 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnco2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc3)C3CC3)no2)cn1.CNc1ccc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)cn1.Cc1n[nH]c(C)c1-c1nc(C(C)(c2ccc(-c3cnc(N)nc3)cc2)C(C)C)no1.

What is the InChIKey of 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is VVSZHFFHQWVHRM-KPFIGKSLSA-N. The full InChI is InChI=1S/C26H26F3N7O2.C26H29N7O2.C22H25N7O.C20H20N6O2/c1-25(19-8-9-19,24-33-23(38-34-24)17-12-32-36(13-17)14-21(37)35(2)3)18-6-4-15(5-7-18)16-10-20(26(27,28)29)22(30)31-11-16;1-26(21-10-11-21,20-8-5-17(6-9-20)18-7-12-22(27-2)28-13-18)25-30-24(35-31-25)19-14-29-33(15-19)16-23(34)32(3)4;1-12(2)22(5,20-26-19(30-29-20)18-13(3)27-28-14(18)4)17-8-6-15(7-9-17)16-10-24-21(23)25-11-16;1-12(2)20(3,18-25-17(28-26-18)16-10-22-11-27-16)15-6-4-13(5-7-15)14-8-23-19(21)24-9-14/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,30,31);5-9,12-15,21H,10-11,16H2,1-4H3,(H,27,28);6-12H,1-5H3,(H,27,28)(H2,23,24,25);4-12H,1-3H3,(H2,21,23,24)/t25-;26-;;/m00../s1.

What are the key properties of 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 1777.01 g/mol, XLogP of 16.04, 25 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[2-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 161413194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).