[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate

C18H13FN4O3 — CID 46856585

IUPAC[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate
SMILESCn1nc(C(=O)OCc2nc(-c3cccc(F)c3)no2)c2ccccc21
InChIInChI=1S/C18H13FN4O3/c1-23-14-8-3-2-7-13(14)16(21-23)18(24)25-10-15-20-17(22-26-15)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3
InChIKeyCREZVUNMLXERAN-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.12
Rot. Bonds4

About [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate

[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate (PubChem CID 46856585) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate
PubChem CID46856585
Molecular FormulaC18H13FN4O3
Molecular Weight352.33 g/mol
Exact Mass352.10
IUPAC Name[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate
SMILESCn1nc(C(=O)OCc2nc(-c3cccc(F)c3)no2)c2ccccc21
InChIInChI=1S/C18H13FN4O3/c1-23-14-8-3-2-7-13(14)16(21-23)18(24)25-10-15-20-17(22-26-15)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3
InChIKeyCREZVUNMLXERAN-UHFFFAOYSA-N
XLogP3.12
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate?
The IUPAC name of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate (CID 46856585) is [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate.
What is the SMILES notation for [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate?
The canonical SMILES for [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate is Cn1nc(C(=O)OCc2nc(-c3cccc(F)c3)no2)c2ccccc21.
What is the InChIKey of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate?
The InChIKey is CREZVUNMLXERAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3/c1-23-14-8-3-2-7-13(14)16(21-23)18(24)25-10-15-20-17(22-26-15)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate?
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate has a molecular weight of 352.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylindazole-3-carboxylate is sourced from PubChem (CID 46856585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).