(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

C25H16FN3O3 — CID 16527478

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C25H16FN3O3/c26-18-12-10-16(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)25(30)31-15-23-28-29-24(32-23)17-6-2-1-3-7-17/h1-14H,15H2
InChIKeyCXSPROOJWWLEIQ-UHFFFAOYSA-N
MW425.42 g/mol
LogP5.45
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 16527478) has the molecular formula C25H16FN3O3 and a molecular weight of 425.42 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID16527478
Molecular FormulaC25H16FN3O3
Molecular Weight425.42 g/mol
Exact Mass425.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C25H16FN3O3/c26-18-12-10-16(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)25(30)31-15-23-28-29-24(32-23)17-6-2-1-3-7-17/h1-14H,15H2
InChIKeyCXSPROOJWWLEIQ-UHFFFAOYSA-N
XLogP5.45
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylquinoline-4-carboxylate
CID 35779220
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 23940568
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55484970
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-1-carboxylate
CID 7377254
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 16527478) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is CXSPROOJWWLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3O3/c26-18-12-10-16(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)25(30)31-15-23-28-29-24(32-23)17-6-2-1-3-7-17/h1-14H,15H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 425.42 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 16527478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).