N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline

C24H22FN3O — CID 20944407

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H22FN3O/c1-16(2)17-10-14-21(15-11-17)26-22(18-8-12-20(25)13-9-18)24-28-27-23(29-24)19-6-4-3-5-7-19/h3-16,22,26H,1-2H3
InChIKeyUDOZUQSDQAIRTK-UHFFFAOYSA-N
MW387.46 g/mol
LogP6.20
Rot. Bonds6

About N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline (PubChem CID 20944407) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline
PubChem CID20944407
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H22FN3O/c1-16(2)17-10-14-21(15-11-17)26-22(18-8-12-20(25)13-9-18)24-28-27-23(29-24)19-6-4-3-5-7-19/h3-16,22,26H,1-2H3
InChIKeyUDOZUQSDQAIRTK-UHFFFAOYSA-N
XLogP6.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 22432811
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylaniline
CID 22432969
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylaniline
CID 92700673
4-ethoxy-N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700728
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 92693156
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 22433067
ethyl 4-[[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]benzoate
CID 92707756
4-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700688
3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 92656819
N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-propan-2-ylaniline
CID 41173442
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-fluoro-4-methylaniline
CID 22432808

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline (CID 20944407) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline is CC(C)c1ccc(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline?
The InChIKey is UDOZUQSDQAIRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-16(2)17-10-14-21(15-11-17)26-22(18-8-12-20(25)13-9-18)24-28-27-23(29-24)19-6-4-3-5-7-19/h3-16,22,26H,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline has a molecular weight of 387.46 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 20944407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).