N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline

C31H20F2N4O — CID 101481953

IUPACN,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESFc1ccc(N(c2ccc(F)cc2)c2ccc(-c3nnc(-c4ccc(-c5ccccn5)cc4)o3)cc2)cc1
InChIInChI=1S/C31H20F2N4O/c32-24-10-16-27(17-11-24)37(28-18-12-25(33)13-19-28)26-14-8-23(9-15-26)31-36-35-30(38-31)22-6-4-21(5-7-22)29-3-1-2-20-34-29/h1-20H
InChIKeyIKYKSWZTCBESRR-UHFFFAOYSA-N
MW502.52 g/mol
LogP8.21
Rot. Bonds6

About N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline

N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 101481953) has the molecular formula C31H20F2N4O and a molecular weight of 502.52 g/mol. Its IUPAC name is N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID101481953
Molecular FormulaC31H20F2N4O
Molecular Weight502.52 g/mol
Exact Mass502.16
IUPAC NameN,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESFc1ccc(N(c2ccc(F)cc2)c2ccc(-c3nnc(-c4ccc(-c5ccccn5)cc4)o3)cc2)cc1
InChIInChI=1S/C31H20F2N4O/c32-24-10-16-27(17-11-24)37(28-18-12-25(33)13-19-28)26-14-8-23(9-15-26)31-36-35-30(38-31)22-6-4-21(5-7-22)29-3-1-2-20-34-29/h1-20H
InChIKeyIKYKSWZTCBESRR-UHFFFAOYSA-N
XLogP8.21
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.52
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
N-(4-tert-butylphenyl)-4-(3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl)benzamide
CID 44416415
US10464911, Example 30
CID 126508037
1-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162722279
1-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162722487
N,N-dimethyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline
CID 13976893
3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylpropanamide
CID 16191373
1-[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 38031080
N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 38031120
N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(pyridin-2-ylmethylamino)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
CID 45783977
N-(sec-butyl)-3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 53162159
N-(3,4-Difluorophenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162169

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 101481953) is N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline is Fc1ccc(N(c2ccc(F)cc2)c2ccc(-c3nnc(-c4ccc(-c5ccccn5)cc4)o3)cc2)cc1.
What is the InChIKey of N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is IKYKSWZTCBESRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F2N4O/c32-24-10-16-27(17-11-24)37(28-18-12-25(33)13-19-28)26-14-8-23(9-15-26)31-36-35-30(38-31)22-6-4-21(5-7-22)29-3-1-2-20-34-29/h1-20H.
What are the key properties of N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 502.52 g/mol, XLogP of 8.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-fluorophenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 101481953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).