3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole

C16H20F2N4O — CID 166278034

IUPAC3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole
SMILESCC(C)n1cc(C2CC2c2nc(C3CCC(F)(F)C3)no2)cn1
InChIInChI=1S/C16H20F2N4O/c1-9(2)22-8-11(7-19-22)12-5-13(12)15-20-14(21-23-15)10-3-4-16(17,18)6-10/h7-10,12-13H,3-6H2,1-2H3
InChIKeyRSANJEQUMOBFIZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.02
Rot. Bonds4

About 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole

3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 166278034) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID166278034
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC Name3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole
SMILESCC(C)n1cc(C2CC2c2nc(C3CCC(F)(F)C3)no2)cn1
InChIInChI=1S/C16H20F2N4O/c1-9(2)22-8-11(7-19-22)12-5-13(12)15-20-14(21-23-15)10-3-4-16(17,18)6-10/h7-10,12-13H,3-6H2,1-2H3
InChIKeyRSANJEQUMOBFIZ-UHFFFAOYSA-N
XLogP4.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole (CID 166278034) is 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole is CC(C)n1cc(C2CC2c2nc(C3CCC(F)(F)C3)no2)cn1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is RSANJEQUMOBFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-9(2)22-8-11(7-19-22)12-5-13(12)15-20-14(21-23-15)10-3-4-16(17,18)6-10/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole?
3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 322.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166278034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).