N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide

C52H36F4N6O4 — CID 126495283

IUPACN-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(F)c2)c(-c2cc(F)cc(-c3cc(F)cc(-c4nc(NC(=O)CCc5c[nH]c6ccccc56)oc4-c4cccc(F)c4)c3)c2)o1
InChIInChI=1S/C52H36F4N6O4/c53-37-9-5-7-29(19-37)48-51(65-47(61-48)28-59-46(64)25-36-27-58-44-14-4-2-12-42(36)44)35-18-33(22-40(56)24-35)32-17-34(23-39(55)21-32)49-50(30-8-6-10-38(54)20-30)66-52(62-49)60-45(63)16-15-31-26-57-43-13-3-1-11-41(31)43/h1-14,17-24,26-27,57-58H,15-16,25,28H2,(H,59,64)(H,60,62,63)
InChIKeyIOTBFNHKNRLYRL-UHFFFAOYSA-N
MW884.89 g/mol
LogP11.95
Rot. Bonds13

About N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide

N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 126495283) has the molecular formula C52H36F4N6O4 and a molecular weight of 884.89 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID126495283
Molecular FormulaC52H36F4N6O4
Molecular Weight884.89 g/mol
Exact Mass884.27
IUPAC NameN-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(F)c2)c(-c2cc(F)cc(-c3cc(F)cc(-c4nc(NC(=O)CCc5c[nH]c6ccccc56)oc4-c4cccc(F)c4)c3)c2)o1
InChIInChI=1S/C52H36F4N6O4/c53-37-9-5-7-29(19-37)48-51(65-47(61-48)28-59-46(64)25-36-27-58-44-14-4-2-12-42(36)44)35-18-33(22-40(56)24-35)32-17-34(23-39(55)21-32)49-50(30-8-6-10-38(54)20-30)66-52(62-49)60-45(63)16-15-31-26-57-43-13-3-1-11-41(31)43/h1-14,17-24,26-27,57-58H,15-16,25,28H2,(H,59,64)(H,60,62,63)
InChIKeyIOTBFNHKNRLYRL-UHFFFAOYSA-N
XLogP11.95
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.89
LogP ≤ 511.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole
CID 126494895
N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide
CID 46820436
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495200
3-(1H-indol-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524941
4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole;4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole;3-[5-(3-hydroxyphenyl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-yl]phenol;3-[5-(3-hydroxyphenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-4-yl]phenol;2-[3-(1H-indol-3-yl)propyl]-4,5-bis(3-methylphenyl)-1,3-oxazole;2-[3-(1H-indol-3-yl)propyl]-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 161020231
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110334003
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 22221309

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 126495283) is N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide is O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(F)c2)c(-c2cc(F)cc(-c3cc(F)cc(-c4nc(NC(=O)CCc5c[nH]c6ccccc56)oc4-c4cccc(F)c4)c3)c2)o1.
What is the InChIKey of N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is IOTBFNHKNRLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36F4N6O4/c53-37-9-5-7-29(19-37)48-51(65-47(61-48)28-59-46(64)25-36-27-58-44-14-4-2-12-42(36)44)35-18-33(22-40(56)24-35)32-17-34(23-39(55)21-32)49-50(30-8-6-10-38(54)20-30)66-52(62-49)60-45(63)16-15-31-26-57-43-13-3-1-11-41(31)43/h1-14,17-24,26-27,57-58H,15-16,25,28H2,(H,59,64)(H,60,62,63).
What are the key properties of N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide?
N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 884.89 g/mol, XLogP of 11.95, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 126495283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).