N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C88H113Cl2N13O15 — CID 163438610

About N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 163438610) has the molecular formula C88H113Cl2N13O15 and a molecular weight of 1663.85 g/mol. Its IUPAC name is N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 163438610
• Molecular Formula: C88H113Cl2N13O15
• Molecular Weight: 1663.85 g/mol
• Exact Mass: 1661.79
• IUPAC Name: N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(-c3cccnc3)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(Cl)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCNCC2)C1)c1ncc(-c2ccc(Cl)cc2OC)o1
• InChI: InChI=1S/C33H41N5O5.C28H37ClN4O5.C27H35ClN4O5/c1-4-25(39)10-6-5-7-11-27(36-31(40)28-20-33(43-37-28)14-17-38(2)18-15-33)32-35-22-30(42-32)26-13-12-23(19-29(26)41-3)24-9-8-16-34-21-24;1-4-20(34)8-6-5-7-9-22(27-30-18-25(37-27)21-11-10-19(29)16-24(21)36-3)31-26(35)23-17-28(38-32-23)12-14-33(2)15-13-28;1-3-19(33)7-5-4-6-8-21(31-25(34)22-16-27(37-32-22)11-13-29-14-12-27)26-30-17-24(36-26)20-10-9-18(28)15-23(20)35-2/h8-9,12-13,16,19,21-22,27H,4-7,10-11,14-15,17-18,20H2,1-3H3,(H,36,40);10-11,16,18,22H,4-9,12-15,17H2,1-3H3,(H,31,35);9-10,15,17,21,29H,3-8,11-14,16H2,1-2H3,(H,31,34)/t27-;22-;21-/m000/s1
• InChIKey: AWQBWKRAFXUGGB-GUKNLXKPSA-N
• XLogP: 16.06
• TPSA: 340.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1663.85
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 163438610) is N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(-c3cccnc3)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(Cl)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCNCC2)C1)c1ncc(-c2ccc(Cl)cc2OC)o1.

What is the InChIKey of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is AWQBWKRAFXUGGB-GUKNLXKPSA-N. The full InChI is InChI=1S/C33H41N5O5.C28H37ClN4O5.C27H35ClN4O5/c1-4-25(39)10-6-5-7-11-27(36-31(40)28-20-33(43-37-28)14-17-38(2)18-15-33)32-35-22-30(42-32)26-13-12-23(19-29(26)41-3)24-9-8-16-34-21-24;1-4-20(34)8-6-5-7-9-22(27-30-18-25(37-27)21-11-10-19(29)16-24(21)36-3)31-26(35)23-17-28(38-32-23)12-14-33(2)15-13-28;1-3-19(33)7-5-4-6-8-21(31-25(34)22-16-27(37-32-22)11-13-29-14-12-27)26-30-17-24(36-26)20-10-9-18(28)15-23(20)35-2/h8-9,12-13,16,19,21-22,27H,4-7,10-11,14-15,17-18,20H2,1-3H3,(H,36,40);10-11,16,18,22H,4-9,12-15,17H2,1-3H3,(H,31,35);9-10,15,17,21,29H,3-8,11-14,16H2,1-2H3,(H,31,34)/t27-;22-;21-/m000/s1.

What are the key properties of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 1663.85 g/mol, XLogP of 16.06, 37 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 163438610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).