(2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C109H157B3ClN11O15 — CID 163498520

About (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

(2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 163498520) has the molecular formula C109H157B3ClN11O15 and a molecular weight of 1929.41 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 163498520
• Molecular Formula: C109H157B3ClN11O15
• Molecular Weight: 1929.41 g/mol
• Exact Mass: 1928.18
• IUPAC Name: (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(-c3cnc(C4CC4)cn3)cc2)o1.CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1.CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C35H45N5O3.C34H50BN3O5.C28H38ClN3O3.C12H24B2O4/c1-3-27(41)8-6-5-7-9-29(39-33(42)28-20-35(28)16-18-40(4-2)19-17-35)34-38-23-32(43-34)26-14-12-25(13-15-26)31-22-36-30(21-37-31)24-10-11-24;1-7-26(39)12-10-9-11-13-28(37-30(40)27-22-34(27)18-20-38(8-2)21-19-34)31-36-23-29(41-31)24-14-16-25(17-15-24)35-42-32(3,4)33(5,6)43-35;1-3-22(33)8-6-5-7-9-24(27-30-19-25(35-27)20-10-12-21(29)13-11-20)31-26(34)23-18-28(23)14-16-32(4-2)17-15-28;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h12-15,21-24,28-29H,3-11,16-20H2,1-2H3,(H,39,42);14-17,23,27-28H,7-13,18-22H2,1-6H3,(H,37,40);10-13,19,23-24H,3-9,14-18H2,1-2H3,(H,31,34);1-8H3/t28-,29+;27-,28+;23-,24+;/m111./s1
• InChIKey: CSTJFSNADMUXLX-VCSJOEQESA-N
• XLogP: 21.19
• TPSA: 307.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.41
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 163498520) is (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(-c3cnc(C4CC4)cn3)cc2)o1.CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1.CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is CSTJFSNADMUXLX-VCSJOEQESA-N. The full InChI is InChI=1S/C35H45N5O3.C34H50BN3O5.C28H38ClN3O3.C12H24B2O4/c1-3-27(41)8-6-5-7-9-29(39-33(42)28-20-35(28)16-18-40(4-2)19-17-35)34-38-23-32(43-34)26-14-12-25(13-15-26)31-22-36-30(21-37-31)24-10-11-24;1-7-26(39)12-10-9-11-13-28(37-30(40)27-22-34(27)18-20-38(8-2)21-19-34)31-36-23-29(41-31)24-14-16-25(17-15-24)35-42-32(3,4)33(5,6)43-35;1-3-22(33)8-6-5-7-9-24(27-30-19-25(35-27)20-10-12-21(29)13-11-20)31-26(34)23-18-28(23)14-16-32(4-2)17-15-28;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h12-15,21-24,28-29H,3-11,16-20H2,1-2H3,(H,39,42);14-17,23,27-28H,7-13,18-22H2,1-6H3,(H,37,40);10-13,19,23-24H,3-9,14-18H2,1-2H3,(H,31,34);1-8H3/t28-,29+;27-,28+;23-,24+;/m111./s1.

What are the key properties of (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

(2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1929.41 g/mol, XLogP of 21.19, 40 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-[4-(5-cyclopropylpyrazin-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide;(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 163498520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).