[(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate

C30H24FN3O5 — CID 58032217

IUPAC[(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(-c4noc(-c5ccc(C)cc5)n4)c(F)c3)OC=O)o2)cc1
InChIInChI=1S/C30H24FN3O5/c1-18-3-8-21(9-4-18)25-13-14-26(38-25)29(36)32-27(37-17-35)16-20-7-12-23(24(31)15-20)28-33-30(39-34-28)22-10-5-19(2)6-11-22/h3-15,17,27H,16H2,1-2H3,(H,32,36)/t27-/m1/s1
InChIKeyAZJIOBGZVNGJGH-HHHXNRCGSA-N
MW525.54 g/mol
LogP5.89
Rot. Bonds9

About [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate

[(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate (PubChem CID 58032217) has the molecular formula C30H24FN3O5 and a molecular weight of 525.54 g/mol. Its IUPAC name is [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate.

Molecular Properties

Compound Name[(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate
PubChem CID58032217
Molecular FormulaC30H24FN3O5
Molecular Weight525.54 g/mol
Exact Mass525.17
IUPAC Name[(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(-c4noc(-c5ccc(C)cc5)n4)c(F)c3)OC=O)o2)cc1
InChIInChI=1S/C30H24FN3O5/c1-18-3-8-21(9-4-18)25-13-14-26(38-25)29(36)32-27(37-17-35)16-20-7-12-23(24(31)15-20)28-33-30(39-34-28)22-10-5-19(2)6-11-22/h3-15,17,27H,16H2,1-2H3,(H,32,36)/t27-/m1/s1
InChIKeyAZJIOBGZVNGJGH-HHHXNRCGSA-N
XLogP5.89
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate with MolForge

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Related Compounds

N-[(2R)-1-[4-[3-[3-fluoro-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44374397
N-{1-[3-(4-Tert-butylphenyl)-1,2,4-oxadiazol-5-YL]ethyl}furan-2-carboxamide
CID 6459151
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373711
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373905
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1964348
N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160372
N-{1-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-YL]ethyl}furan-2-carboxamide
CID 6460290
N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944234
N-[(2R)-1-[4-[3-[4-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373934
N-[(2R)-1-[4-[3-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44374109
N-[(2R)-1-[4-[3-[4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44374123
(S)-benzyl 1-(5-(4-((2-(4-fluorophenoxy)ethyl)carbamoyl)benzyl)-1,2,4-oxadiazol-3-yl)-6-amino-1-oxohexan-2-ylcarbamate
CID 44414332

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate?
The IUPAC name of [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate (CID 58032217) is [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate.
What is the SMILES notation for [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate?
The canonical SMILES for [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate is Cc1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(-c4noc(-c5ccc(C)cc5)n4)c(F)c3)OC=O)o2)cc1.
What is the InChIKey of [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate?
The InChIKey is AZJIOBGZVNGJGH-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H24FN3O5/c1-18-3-8-21(9-4-18)25-13-14-26(38-25)29(36)32-27(37-17-35)16-20-7-12-23(24(31)15-20)28-33-30(39-34-28)22-10-5-19(2)6-11-22/h3-15,17,27H,16H2,1-2H3,(H,32,36)/t27-/m1/s1.
What are the key properties of [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate?
[(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate has a molecular weight of 525.54 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-[[5-(4-methylphenyl)furan-2-carbonyl]amino]ethyl] formate is sourced from PubChem (CID 58032217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).