5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole

C14H23FN2O — CID 169163003

IUPAC5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole
SMILESCCC(C)c1oc(CCCN2CC(F)C2)nc1C
InChIInChI=1S/C14H23FN2O/c1-4-10(2)14-11(3)16-13(18-14)6-5-7-17-8-12(15)9-17/h10,12H,4-9H2,1-3H3
InChIKeyGVWCQYPEZVNZLW-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.08
Rot. Bonds6

About 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole

5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole (PubChem CID 169163003) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole
PubChem CID169163003
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole
SMILESCCC(C)c1oc(CCCN2CC(F)C2)nc1C
InChIInChI=1S/C14H23FN2O/c1-4-10(2)14-11(3)16-13(18-14)6-5-7-17-8-12(15)9-17/h10,12H,4-9H2,1-3H3
InChIKeyGVWCQYPEZVNZLW-UHFFFAOYSA-N
XLogP3.08
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole?
The IUPAC name of 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole (CID 169163003) is 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole is CCC(C)c1oc(CCCN2CC(F)C2)nc1C.
What is the InChIKey of 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole?
The InChIKey is GVWCQYPEZVNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-10(2)14-11(3)16-13(18-14)6-5-7-17-8-12(15)9-17/h10,12H,4-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole?
5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole has a molecular weight of 254.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 169163003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).