5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole

C13H17FN4O2 — CID 164640788

IUPAC5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc([C@]2(F)CCOC2)n1
InChIInChI=1S/C13H17FN4O2/c1-8(2)10-9(6-18(3)16-10)11-15-12(20-17-11)13(14)4-5-19-7-13/h6,8H,4-5,7H2,1-3H3/t13-/m0/s1
InChIKeyYNQRQLAPIJRENS-ZDUSSCGKSA-N
MW280.30 g/mol
LogP2.18
Rot. Bonds3

About 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole

5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 164640788) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID164640788
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc([C@]2(F)CCOC2)n1
InChIInChI=1S/C13H17FN4O2/c1-8(2)10-9(6-18(3)16-10)11-15-12(20-17-11)13(14)4-5-19-7-13/h6,8H,4-5,7H2,1-3H3/t13-/m0/s1
InChIKeyYNQRQLAPIJRENS-ZDUSSCGKSA-N
XLogP2.18
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole (CID 164640788) is 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole is CC(C)c1nn(C)cc1-c1noc([C@]2(F)CCOC2)n1.
What is the InChIKey of 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is YNQRQLAPIJRENS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-8(2)10-9(6-18(3)16-10)11-15-12(20-17-11)13(14)4-5-19-7-13/h6,8H,4-5,7H2,1-3H3/t13-/m0/s1.
What are the key properties of 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 280.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 164640788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).