3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole

C21H13FN4O2 — CID 118730626

IUPAC3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C21H13FN4O2/c22-14-7-11-16(12-8-14)27-15-9-5-13(6-10-15)20-23-21(28-26-20)19-17-3-1-2-4-18(17)24-25-19/h1-12H,(H,24,25)
InChIKeyPKNUDMOOZBHHKI-UHFFFAOYSA-N
MW372.36 g/mol
LogP5.21
Rot. Bonds4

About 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole

3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole (PubChem CID 118730626) has the molecular formula C21H13FN4O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
PubChem CID118730626
Molecular FormulaC21H13FN4O2
Molecular Weight372.36 g/mol
Exact Mass372.10
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C21H13FN4O2/c22-14-7-11-16(12-8-14)27-15-9-5-13(6-10-15)20-23-21(28-26-20)19-17-3-1-2-4-18(17)24-25-19/h1-12H,(H,24,25)
InChIKeyPKNUDMOOZBHHKI-UHFFFAOYSA-N
XLogP5.21
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 89767213
5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16025918
3-(3,4-dimethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 16025938
3-(4-methoxyphenyl)-5-[5-(propan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 8520614
5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 16025912
tert-butyl N-[[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637432
5-(4-iodo-1H-pyrazol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
CID 118730437
5-(4-iodo-1H-pyrazol-5-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
CID 118730438
5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine
CID 118730443
5-(4-ethynyl-1H-pyrazol-5-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
CID 118730551
5-(1H-pyrazol-5-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
CID 118730600

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole (CID 118730626) is 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole is Fc1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is PKNUDMOOZBHHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O2/c22-14-7-11-16(12-8-14)27-15-9-5-13(6-10-15)20-23-21(28-26-20)19-17-3-1-2-4-18(17)24-25-19/h1-12H,(H,24,25).
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 372.36 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 118730626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).