4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol

C20H14FN3O2 — CID 137028415

IUPAC4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Nc4ccc(F)cc4)cc3)no2)cc1
InChIInChI=1S/C20H14FN3O2/c21-15-5-9-17(10-6-15)22-16-7-1-13(2-8-16)19-23-20(26-24-19)14-3-11-18(25)12-4-14/h1-12,22,25H
InChIKeyHPEFXLWFMJBURD-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.99
Rot. Bonds4

About 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol

4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028415) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028415
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Nc4ccc(F)cc4)cc3)no2)cc1
InChIInChI=1S/C20H14FN3O2/c21-15-5-9-17(10-6-15)22-16-7-1-13(2-8-16)19-23-20(26-24-19)14-3-11-18(25)12-4-14/h1-12,22,25H
InChIKeyHPEFXLWFMJBURD-UHFFFAOYSA-N
XLogP4.99
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(3-(4-Hydroxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid
CID 135800177
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
4-[5-(4-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 4899129
4-[3-[4-(4-Fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline
CID 118730575
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 118730576
2-Fluoro-4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730588
4-(3-Phenyl-[1,2,4]oxadiazol-5-yl)-phenol
CID 135878213
2-Amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136961500
4-[3-(4-Anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028381
4-[3-(4-Benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028416
4-[3-(4-Aminophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028426

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 137028415) is 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc(Nc4ccc(F)cc4)cc3)no2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is HPEFXLWFMJBURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c21-15-5-9-17(10-6-15)22-16-7-1-13(2-8-16)19-23-20(26-24-19)14-3-11-18(25)12-4-14/h1-12,22,25H.
What are the key properties of 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 347.35 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluoroanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).