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

C25H34N4O7 — CID 54632016

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

N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 54632016) has the molecular formula C25H34N4O7 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 54632016
• Molecular Formula: C25H34N4O7
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.24
• IUPAC Name: N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H]1C
• InChI: InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16+,22-/m1/s1
• InChIKey: QUVWWXZLNVGVGD-ZMPRRUGASA-N
• XLogP: 2.21
• TPSA: 123.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 54632016) is N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide is COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H]1C.

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

The InChIKey is QUVWWXZLNVGVGD-ZMPRRUGASA-N. The full InChI is InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16+,22-/m1/s1.

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

N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 54632016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).