5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

C12H13FN4O — CID 136560198

IUPAC5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCC(=C(F)c1nc(-c2ccn(C)n2)no1)C1CC1
InChIInChI=1S/C12H13FN4O/c1-7(8-3-4-8)10(13)12-14-11(16-18-12)9-5-6-17(2)15-9/h5-6,8H,3-4H2,1-2H3
InChIKeyPRVSOKVXSHGORU-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.58
Rot. Bonds3

About 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 136560198) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID136560198
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCC(=C(F)c1nc(-c2ccn(C)n2)no1)C1CC1
InChIInChI=1S/C12H13FN4O/c1-7(8-3-4-8)10(13)12-14-11(16-18-12)9-5-6-17(2)15-9/h5-6,8H,3-4H2,1-2H3
InChIKeyPRVSOKVXSHGORU-UHFFFAOYSA-N
XLogP2.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 136560198) is 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is CC(=C(F)c1nc(-c2ccn(C)n2)no1)C1CC1.
What is the InChIKey of 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is PRVSOKVXSHGORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7(8-3-4-8)10(13)12-14-11(16-18-12)9-5-6-17(2)15-9/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 248.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136560198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).