5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole

C17H13FN4O — CID 21334392

IUPAC5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C17H13FN4O/c1-11-19-17(23-21-11)16-13-7-3-5-9-15(13)22(20-16)10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3
InChIKeyXFFSMPGCSIDMMG-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.58
Rot. Bonds3

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

5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 21334392) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID21334392
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C17H13FN4O/c1-11-19-17(23-21-11)16-13-7-3-5-9-15(13)22(20-16)10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3
InChIKeyXFFSMPGCSIDMMG-UHFFFAOYSA-N
XLogP3.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 21334457
[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637062
5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 141467458
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-2-ylpyrimidin-4-amine
CID 130405195
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 86732462
2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
CID 21334429
N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide
CID 86274064
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331
[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 18416669
N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide
CID 53037381
5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467434
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole (CID 21334392) is 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XFFSMPGCSIDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-11-19-17(23-21-11)16-13-7-3-5-9-15(13)22(20-16)10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 308.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 21334392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).