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

C27H36N4O6 — CID 134829356

IUPACN-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
SMILESCO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H](C)N(C(=O)C2CCCC2)C[C@H]1C
InChIInChI=1S/C27H36N4O6/c1-17-14-31(26(33)19-7-5-6-8-19)18(2)16-36-22-10-9-20(29-25(32)23-11-12-28-37-23)13-21(22)27(34)30(3)15-24(17)35-4/h9-13,17-19,24H,5-8,14-16H2,1-4H3,(H,29,32)/t17-,18-,24-/m1/s1
InChIKeyPIZGSIHZFYESCJ-QZTZHPFYSA-N
MW512.61 g/mol
LogP3.45
Rot. Bonds4

About N-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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 134829356) has the molecular formula C27H36N4O6 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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 NameN-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
PubChem CID134829356
Molecular FormulaC27H36N4O6
Molecular Weight512.61 g/mol
Exact Mass512.26
IUPAC NameN-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
SMILESCO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H](C)N(C(=O)C2CCCC2)C[C@H]1C
InChIInChI=1S/C27H36N4O6/c1-17-14-31(26(33)19-7-5-6-8-19)18(2)16-36-22-10-9-20(29-25(32)23-11-12-28-37-23)13-21(22)27(34)30(3)15-24(17)35-4/h9-13,17-19,24H,5-8,14-16H2,1-4H3,(H,29,32)/t17-,18-,24-/m1/s1
InChIKeyPIZGSIHZFYESCJ-QZTZHPFYSA-N
XLogP3.45
TPSA114.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(oxane-4-carbonyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
CID 134829348
N-[(4S,7S,8R)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
CID 54637435
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
N-[(4S,7R,8S)-5-(cyclohexanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
CID 54637429
N-[(4R,7R,8S)-5-(cyclohexanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
CID 54637427
N-[(4R,7R,8R)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
CID 54632246
1-[(4S,7R,8S)-5-(cyclopropanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
CID 54632978
N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
CID 54632980
N-[(4S,7R,8R)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
CID 54632981
N-[(4R,7R,8R)-5-(cyclopropanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]benzamide
CID 54633046
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(oxane-4-carbonyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
CID 54631323
N-[(4R,7R,8S)-5-(cyclohexanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,3,3-trifluoropropanamide
CID 134829419

Frequently Asked Questions

What is the IUPAC name of N-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide (CID 134829356) is N-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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)C2CCCC2)C[C@H]1C.
What is the InChIKey of N-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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 PIZGSIHZFYESCJ-QZTZHPFYSA-N. The full InChI is InChI=1S/C27H36N4O6/c1-17-14-31(26(33)19-7-5-6-8-19)18(2)16-36-22-10-9-20(29-25(32)23-11-12-28-37-23)13-21(22)27(34)30(3)15-24(17)35-4/h9-13,17-19,24H,5-8,14-16H2,1-4H3,(H,29,32)/t17-,18-,24-/m1/s1.
What are the key properties of N-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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 512.61 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,7R,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-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 134829356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).