tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C88H131ClN24O15 — CID 167610885

About tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 167610885) has the molecular formula C88H131ClN24O15 and a molecular weight of 1800.62 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
• PubChem CID: 167610885
• Molecular Formula: C88H131ClN24O15
• Molecular Weight: 1800.62 g/mol
• Exact Mass: 1798.99
• IUPAC Name: tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
• SMILES: C.CC(C)(C)OC(=O)NCC=O.COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.COCCOc1ccc(N2CCN(CCN)CC2)cc1.COCCOc1ccc(N2CCN(CCNC(=O)OC(C)(C)C)CC2)cc1.COCCOc1ccc(N2CCNCC2)cc1.Nc1nc(Cl)cc2nc(-c3ncco3)nn12
• InChI: InChI=1S/C24H31N9O3.C20H33N3O4.C15H25N3O2.C13H20N2O2.C8H5ClN6O.C7H13NO3.CH4/c1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-20(2,3)27-19(24)21-9-10-22-11-13-23(14-12-22)17-5-7-18(8-6-17)26-16-15-25-4;1-19-12-13-20-15-4-2-14(3-5-15)18-10-8-17(7-6-16)9-11-18;1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;1-7(2,3)11-6(10)8-4-5-9;/h3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);5-8H,9-16H2,1-4H3,(H,21,24);2-5H,6-13,16H2,1H3;2-5,14H,6-11H2,1H3;1-3H,(H2,10,12);5H,4H2,1-3H3,(H,8,10);1H4
• InChIKey: LAKFRYWBVAFIMF-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 421.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.62
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The IUPAC name of tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 167610885) is tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

What is the SMILES notation for tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The canonical SMILES for tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is C.CC(C)(C)OC(=O)NCC=O.COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.COCCOc1ccc(N2CCN(CCN)CC2)cc1.COCCOc1ccc(N2CCN(CCNC(=O)OC(C)(C)C)CC2)cc1.COCCOc1ccc(N2CCNCC2)cc1.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.

What is the InChIKey of tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The InChIKey is LAKFRYWBVAFIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O3.C20H33N3O4.C15H25N3O2.C13H20N2O2.C8H5ClN6O.C7H13NO3.CH4/c1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-20(2,3)27-19(24)21-9-10-22-11-13-23(14-12-22)17-5-7-18(8-6-17)26-16-15-25-4;1-19-12-13-20-15-4-2-14(3-5-15)18-10-8-17(7-6-16)9-11-18;1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;1-7(2,3)11-6(10)8-4-5-9;/h3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);5-8H,9-16H2,1-4H3,(H,21,24);2-5H,6-13,16H2,1H3;2-5,14H,6-11H2,1H3;1-3H,(H2,10,12);5H,4H2,1-3H3,(H,8,10);1H4.

What are the key properties of tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 1800.62 g/mol, XLogP of 8.28, 33 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;1-[4-(2-methoxyethoxy)phenyl]piperazine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 167610885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).