N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline

C23H20FN3O3 — CID 92700747

IUPACN-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc(OC)c1
InChIInChI=1S/C23H20FN3O3/c1-28-17-12-16(13-18(14-17)29-2)25-21(15-8-4-3-5-9-15)23-27-26-22(30-23)19-10-6-7-11-20(19)24/h3-14,21,25H,1-2H3/t21-/m1/s1
InChIKeyDAXGZYFGOVGJMV-OAQYLSRUSA-N
MW405.43 g/mol
LogP5.09
Rot. Bonds7

About N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline

N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline (PubChem CID 92700747) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline
PubChem CID92700747
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc(OC)c1
InChIInChI=1S/C23H20FN3O3/c1-28-17-12-16(13-18(14-17)29-2)25-21(15-8-4-3-5-9-15)23-27-26-22(30-23)19-10-6-7-11-20(19)24/h3-14,21,25H,1-2H3/t21-/m1/s1
InChIKeyDAXGZYFGOVGJMV-OAQYLSRUSA-N
XLogP5.09
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methylaniline
CID 41123778
3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline
CID 41142796
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylaniline
CID 92700673
3-chloro-N-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylaniline
CID 40646118
N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-propan-2-ylaniline
CID 41173442
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea
CID 26791796
3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 92656819
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
CID 28760976
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxyaniline
CID 22432970
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxyaniline
CID 22432817
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylaniline
CID 22432969

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline (CID 92700747) is N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline is COc1cc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc(OC)c1.
What is the InChIKey of N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline?
The InChIKey is DAXGZYFGOVGJMV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-28-17-12-16(13-18(14-17)29-2)25-21(15-8-4-3-5-9-15)23-27-26-22(30-23)19-10-6-7-11-20(19)24/h3-14,21,25H,1-2H3/t21-/m1/s1.
What are the key properties of N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline?
N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline has a molecular weight of 405.43 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 92700747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).