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

C15H13FN4O — CID 71980373

IUPAC5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4F)CC3)n2)cn1
InChIInChI=1S/C15H13FN4O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3
InChIKeyNLCQVPHDHRRNEX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.69
Rot. Bonds3

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

5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 71980373) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID71980373
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4F)CC3)n2)cn1
InChIInChI=1S/C15H13FN4O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3
InChIKeyNLCQVPHDHRRNEX-UHFFFAOYSA-N
XLogP2.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 71924876
4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914049
3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
CID 71924882
[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311262
5-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958308
(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832487
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196544
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 65196042
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 113447849

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 71980373) is 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3(c4ccccc4F)CC3)n2)cn1.
What is the InChIKey of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is NLCQVPHDHRRNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 284.29 g/mol, XLogP of 2.69, 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)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71980373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).