5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

C16H13FN4O — CID 70751237

IUPAC5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)nn1
InChIInChI=1S/C16H13FN4O/c1-10-2-7-13(20-19-10)14-18-15(22-21-14)16(8-9-16)11-3-5-12(17)6-4-11/h2-7H,8-9H2,1H3
InChIKeyDRRBBSXXHHEHIT-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.05
Rot. Bonds3

About 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 70751237) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID70751237
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)nn1
InChIInChI=1S/C16H13FN4O/c1-10-2-7-13(20-19-10)14-18-15(22-21-14)16(8-9-16)11-3-5-12(17)6-4-11/h2-7H,8-9H2,1H3
InChIKeyDRRBBSXXHHEHIT-UHFFFAOYSA-N
XLogP3.05
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 167956015
5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79720202
4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 104788863
N-[[1,4-dimethyl-4-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 175626608
5-(3-ethylpiperidin-3-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79719832
4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914049
3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 100692250
3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 71924876
5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956580
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
4-[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914045
5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859061

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 70751237) is 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)nn1.
What is the InChIKey of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is DRRBBSXXHHEHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-10-2-7-13(20-19-10)14-18-15(22-21-14)16(8-9-16)11-3-5-12(17)6-4-11/h2-7H,8-9H2,1H3.
What are the key properties of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 296.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70751237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).