5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide

C51H35F4N7O3 — CID 126494873

IUPAC5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cc(F)cc(-c3cc(F)cc(-c4oc(C(=O)NCc5c[nH]c6ccccc56)nc4-c4cccc(F)c4)c3)c2)c(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C51H35F4N7O3/c52-36-9-5-7-28(17-36)46-47(61-44(60-46)27-58-45(63)23-34-24-56-42-13-3-1-11-40(34)42)32-15-30(19-38(54)21-32)31-16-33(22-39(55)20-31)49-48(29-8-6-10-37(53)18-29)62-51(65-49)50(64)59-26-35-25-57-43-14-4-2-12-41(35)43/h1-22,24-25,56-57H,23,26-27H2,(H,58,63)(H,59,64)(H,60,61)
InChIKeyVUVMRIFOGWQZIK-UHFFFAOYSA-N
MW869.88 g/mol
LogP11.04
Rot. Bonds12

About 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide

5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide (PubChem CID 126494873) has the molecular formula C51H35F4N7O3 and a molecular weight of 869.88 g/mol. Its IUPAC name is 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
PubChem CID126494873
Molecular FormulaC51H35F4N7O3
Molecular Weight869.88 g/mol
Exact Mass869.27
IUPAC Name5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cc(F)cc(-c3cc(F)cc(-c4oc(C(=O)NCc5c[nH]c6ccccc56)nc4-c4cccc(F)c4)c3)c2)c(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C51H35F4N7O3/c52-36-9-5-7-28(17-36)46-47(61-44(60-46)27-58-45(63)23-34-24-56-42-13-3-1-11-40(34)42)32-15-30(19-38(54)21-32)31-16-33(22-39(55)20-31)49-48(29-8-6-10-37(53)18-29)62-51(65-49)50(64)59-26-35-25-57-43-14-4-2-12-41(35)43/h1-22,24-25,56-57H,23,26-27H2,(H,58,63)(H,59,64)(H,60,61)
InChIKeyVUVMRIFOGWQZIK-UHFFFAOYSA-N
XLogP11.04
TPSA144.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.88
LogP ≤ 511.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide (CID 126494873) is 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide is O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cc(F)cc(-c3cc(F)cc(-c4oc(C(=O)NCc5c[nH]c6ccccc56)nc4-c4cccc(F)c4)c3)c2)c(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
The InChIKey is VUVMRIFOGWQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35F4N7O3/c52-36-9-5-7-28(17-36)46-47(61-44(60-46)27-58-45(63)23-34-24-56-42-13-3-1-11-40(34)42)32-15-30(19-38(54)21-32)31-16-33(22-39(55)20-31)49-48(29-8-6-10-37(53)18-29)62-51(65-49)50(64)59-26-35-25-57-43-14-4-2-12-41(35)43/h1-22,24-25,56-57H,23,26-27H2,(H,58,63)(H,59,64)(H,60,61).
What are the key properties of 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide has a molecular weight of 869.88 g/mol, XLogP of 11.04, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 126494873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).