4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine — IUPAC name, SMILES, InChIKey & properties

Name: 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158798676) has the molecular formula C90H89N29O8S and a molecular weight of 1736.96 g/mol. Its IUPAC name is 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name	4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID	158798676
Molecular Formula	C90H89N29O8S
Molecular Weight	1736.96 g/mol
Exact Mass	1735.72
IUPAC Name	4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILES	CCNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)N1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.Cn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(O)cc5)n4)CCC3)cc2)cn1
InChI	InChI=1S/C25H27N9O3S.C23H24N8O2.C22H19N5O2.C20H19N7O/c1-38(35,36)34-11-9-33(10-12-34)21-16-27-20(15-28-21)22-31-23(32-37-22)25(7-2-8-25)19-5-3-17(4-6-19)18-13-29-24(26)30-14-18;1-2-25-19(32)14-31-13-17(12-28-31)20-29-21(30-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-26-22(24)27-11-16;23-21-24-12-16(13-25-21)14-2-6-17(7-3-14)22(10-1-11-22)20-26-19(29-27-20)15-4-8-18(28)9-5-15;1-27-16(7-10-24-27)17-25-18(26-28-17)20(8-2-9-20)15-5-3-13(4-6-15)14-11-22-19(21)23-12-14/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,32)(H2,24,26,27);2-9,12-13,28H,1,10-11H2,(H2,23,24,25);3-7,10-12H,2,8-9H2,1H3,(H2,21,22,23)
InChIKey	ITESBGNHRVEMEL-UHFFFAOYSA-N
XLogP	11.63
TPSA	514.25 Å²
H-Bond Donors	6
H-Bond Acceptors	35
Rotatable Bonds	21
Heavy Atoms	128
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1736.96
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Analyze 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158798676) is 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CCNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)N1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.Cn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(O)cc5)n4)CCC3)cc2)cn1.

What is the InChIKey of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is ITESBGNHRVEMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3S.C23H24N8O2.C22H19N5O2.C20H19N7O/c1-38(35,36)34-11-9-33(10-12-34)21-16-27-20(15-28-21)22-31-23(32-37-22)25(7-2-8-25)19-5-3-17(4-6-19)18-13-29-24(26)30-14-18;1-2-25-19(32)14-31-13-17(12-28-31)20-29-21(30-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-26-22(24)27-11-16;23-21-24-12-16(13-25-21)14-2-6-17(7-3-14)22(10-1-11-22)20-26-19(29-27-20)15-4-8-18(28)9-5-15;1-27-16(7-10-24-27)17-25-18(26-28-17)20(8-2-9-20)15-5-3-13(4-6-15)14-11-22-19(21)23-12-14/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,32)(H2,24,26,27);2-9,12-13,28H,1,10-11H2,(H2,23,24,25);3-7,10-12H,2,8-9H2,1H3,(H2,21,22,23).

What are the key properties of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

Where does this data come from?

All data for 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethylacetamide;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158798676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).