N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide

C28H39N5O7 — CID 134829464

About N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide

N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide (PubChem CID 134829464) has the molecular formula C28H39N5O7 and a molecular weight of 557.65 g/mol. Its IUPAC name is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 134829464
• Molecular Formula: C28H39N5O7
• Molecular Weight: 557.65 g/mol
• Exact Mass: 557.28
• IUPAC Name: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
• SMILES: CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H](C)N(C(=O)CCN2CCOCC2)C[C@H]1C
• InChI: InChI=1S/C28H39N5O7/c1-19-16-33(26(34)8-10-32-11-13-38-14-12-32)20(2)18-39-23-6-5-21(30-27(35)24-7-9-29-40-24)15-22(23)28(36)31(3)17-25(19)37-4/h5-7,9,15,19-20,25H,8,10-14,16-18H2,1-4H3,(H,30,35)/t19-,20-,25-/m1/s1
• InChIKey: UDNOYVVKCXNTSH-UMEGOILYSA-N
• XLogP: 1.98
• TPSA: 126.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.65
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide (CID 134829464) is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide is CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H](C)N(C(=O)CCN2CCOCC2)C[C@H]1C.

What is the InChIKey of N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is UDNOYVVKCXNTSH-UMEGOILYSA-N. The full InChI is InChI=1S/C28H39N5O7/c1-19-16-33(26(34)8-10-32-11-13-38-14-12-32)20(2)18-39-23-6-5-21(30-27(35)24-7-9-29-40-24)15-22(23)28(36)31(3)17-25(19)37-4/h5-7,9,15,19-20,25H,8,10-14,16-18H2,1-4H3,(H,30,35)/t19-,20-,25-/m1/s1.

What are the key properties of N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide?

N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 557.65 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-morpholin-4-ylpropanoyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134829464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).