3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole

C19H15FN4O2 — CID 29022096

IUPAC3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc([C@@]2(c3noc(-c4n[nH]c5ccccc45)n3)CCOC2)cc1
InChIInChI=1S/C19H15FN4O2/c20-13-7-5-12(6-8-13)19(9-10-25-11-19)18-21-17(26-24-18)16-14-3-1-2-4-15(14)22-23-16/h1-8H,9-11H2,(H,22,23)/t19-/m1/s1
InChIKeyHACLVYDTAIXTJG-LJQANCHMSA-N
MW350.35 g/mol
LogP3.46
Rot. Bonds3

About 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole

3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole (PubChem CID 29022096) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
PubChem CID29022096
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc([C@@]2(c3noc(-c4n[nH]c5ccccc45)n3)CCOC2)cc1
InChIInChI=1S/C19H15FN4O2/c20-13-7-5-12(6-8-13)19(9-10-25-11-19)18-21-17(26-24-18)16-14-3-1-2-4-15(14)22-23-16/h1-8H,9-11H2,(H,22,23)/t19-/m1/s1
InChIKeyHACLVYDTAIXTJG-LJQANCHMSA-N
XLogP3.46
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
CID 95215992
3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one
CID 95204467
1-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 56712323
3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
CID 95218529
N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 45190975
3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 56770576
3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 56717288
1-[[3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 95212564
5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 94069316
5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467446
1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857352
4-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2H-phthalazin-1-one
CID 167979942

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole (CID 29022096) is 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole is Fc1ccc([C@@]2(c3noc(-c4n[nH]c5ccccc45)n3)CCOC2)cc1.
What is the InChIKey of 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is HACLVYDTAIXTJG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-13-7-5-12(6-8-13)19(9-10-25-11-19)18-21-17(26-24-18)16-14-3-1-2-4-15(14)22-23-16/h1-8H,9-11H2,(H,22,23)/t19-/m1/s1.
What are the key properties of 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 350.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 29022096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).