(7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C127H142N22O21 — CID 162206384

About (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

(7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 162206384) has the molecular formula C127H142N22O21 and a molecular weight of 2312.67 g/mol. Its IUPAC name is (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

• Compound Name: (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
• PubChem CID: 162206384
• Molecular Formula: C127H142N22O21
• Molecular Weight: 2312.67 g/mol
• Exact Mass: 2311.07
• IUPAC Name: (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
• SMILES: Cc1ccc2cc(-c3cnc([C@@H](N)CCCCCC(=O)c4ncco4)o3)ccc2n1.Cc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCCCC5)C4)o3)ccc2n1.Cc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCN(C)CC5)C4)o3)ccc2n1.Cc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCNCC5)C4)o3)ccc2n1.O=C(O)C1=NOC2(CCCCC2)C1
• InChI: InChI=1S/C32H36N6O5.C32H35N5O5.C31H34N6O5.C23H24N4O3.C9H13NO3/c1-21-8-9-22-18-23(10-11-24(22)35-21)28-20-34-30(42-28)25(6-4-3-5-7-27(39)31-33-14-17-41-31)36-29(40)26-19-32(43-37-26)12-15-38(2)16-13-32;1-21-10-11-22-18-23(12-13-24(22)35-21)28-20-34-30(41-28)25(8-4-2-5-9-27(38)31-33-16-17-40-31)36-29(39)26-19-32(42-37-26)14-6-3-7-15-32;1-20-7-8-21-17-22(9-10-23(21)35-20)27-19-34-29(41-27)24(5-3-2-4-6-26(38)30-33-15-16-40-30)36-28(39)25-18-31(42-37-25)11-13-32-14-12-31;1-15-7-8-16-13-17(9-10-19(16)27-15)21-14-26-22(30-21)18(24)5-3-2-4-6-20(28)23-25-11-12-29-23;11-8(12)7-6-9(13-10-7)4-2-1-3-5-9/h8-11,14,17-18,20,25H,3-7,12-13,15-16,19H2,1-2H3,(H,36,40);10-13,16-18,20,25H,2-9,14-15,19H2,1H3,(H,36,39);7-10,15-17,19,24,32H,2-6,11-14,18H2,1H3,(H,36,39);7-14,18H,2-6,24H2,1H3;1-6H2,(H,11,12)/t2*25-;24-;18-;/m0000./s1
• InChIKey: ZSGBCWIKIUHELX-YMOBJZJZSA-N
• XLogP: 23.72
• TPSA: 580.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 43
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.67
LogP ≤ 5	23.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?

The IUPAC name of (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 162206384) is (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

What is the SMILES notation for (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?

The canonical SMILES for (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is Cc1ccc2cc(-c3cnc([C@@H](N)CCCCCC(=O)c4ncco4)o3)ccc2n1.Cc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCCCC5)C4)o3)ccc2n1.Cc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCN(C)CC5)C4)o3)ccc2n1.Cc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCNCC5)C4)o3)ccc2n1.O=C(O)C1=NOC2(CCCCC2)C1.

What is the InChIKey of (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?

The InChIKey is ZSGBCWIKIUHELX-YMOBJZJZSA-N. The full InChI is InChI=1S/C32H36N6O5.C32H35N5O5.C31H34N6O5.C23H24N4O3.C9H13NO3/c1-21-8-9-22-18-23(10-11-24(22)35-21)28-20-34-30(42-28)25(6-4-3-5-7-27(39)31-33-14-17-41-31)36-29(40)26-19-32(43-37-26)12-15-38(2)16-13-32;1-21-10-11-22-18-23(12-13-24(22)35-21)28-20-34-30(41-28)25(8-4-2-5-9-27(38)31-33-16-17-40-31)36-29(39)26-19-32(42-37-26)14-6-3-7-15-32;1-20-7-8-21-17-22(9-10-23(21)35-20)27-19-34-29(41-27)24(5-3-2-4-6-26(38)30-33-15-16-40-30)36-28(39)25-18-31(42-37-25)11-13-32-14-12-31;1-15-7-8-16-13-17(9-10-19(16)27-15)21-14-26-22(30-21)18(24)5-3-2-4-6-20(28)23-25-11-12-29-23;11-8(12)7-6-9(13-10-7)4-2-1-3-5-9/h8-11,14,17-18,20,25H,3-7,12-13,15-16,19H2,1-2H3,(H,36,40);10-13,16-18,20,25H,2-9,14-15,19H2,1H3,(H,36,39);7-10,15-17,19,24,32H,2-6,11-14,18H2,1H3,(H,36,39);7-14,18H,2-6,24H2,1H3;1-6H2,(H,11,12)/t2*25-;24-;18-;/m0000./s1.

What are the key properties of (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?

(7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 2312.67 g/mol, XLogP of 23.72, 43 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-amino-7-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 162206384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).