N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline

C23H18ClF2N3O — CID 15990153

IUPACN-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C23H18ClF2N3O/c1-13-8-14(2)10-18(9-13)27-21(19-7-6-17(26)12-20(19)24)23-29-28-22(30-23)15-4-3-5-16(25)11-15/h3-12,21,27H,1-2H3
InChIKeyQYHTUXNZLHGKRQ-UHFFFAOYSA-N
MW425.87 g/mol
LogP6.49
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline

N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline (PubChem CID 15990153) has the molecular formula C23H18ClF2N3O and a molecular weight of 425.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
PubChem CID15990153
Molecular FormulaC23H18ClF2N3O
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C23H18ClF2N3O/c1-13-8-14(2)10-18(9-13)27-21(19-7-6-17(26)12-20(19)24)23-29-28-22(30-23)15-4-3-5-16(25)11-15/h3-12,21,27H,1-2H3
InChIKeyQYHTUXNZLHGKRQ-UHFFFAOYSA-N
XLogP6.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.87
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-2-methylaniline
CID 16026383
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
N-{2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzyl}-N-(3-fluorophenyl)amine
CID 15990103
4-Bromo-N-[(2-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-3-methylaniline
CID 15990177
[2-(4-Chlorophenyl)ethyl][(2-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]amine
CID 15990192
1-(3-Chlorophenyl)-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 16026363
3-Chloro-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-2-methylaniline
CID 16026365
4-Chloro-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-3-(trifluoromethyl)aniline
CID 16026385
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide
CID 24980356
N-[(4-Chlorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-YL]methyl]-4-ethoxyaniline
CID 15990097
2-(2-Chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 15990280
Ethyl 3-{[(2-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino}benzoate
CID 16026417

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline (CID 15990153) is N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline is Cc1cc(C)cc(NC(c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
The InChIKey is QYHTUXNZLHGKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O/c1-13-8-14(2)10-18(9-13)27-21(19-7-6-17(26)12-20(19)24)23-29-28-22(30-23)15-4-3-5-16(25)11-15/h3-12,21,27H,1-2H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline has a molecular weight of 425.87 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline is sourced from PubChem (CID 15990153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).