4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one

C11H11FN2O3 — CID 174592375

IUPAC4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one
SMILESCc1cc(-c2cnc(C(=O)CCCF)o2)no1
InChIInChI=1S/C11H11FN2O3/c1-7-5-8(14-17-7)10-6-13-11(16-10)9(15)3-2-4-12/h5-6H,2-4H2,1H3
InChIKeyNAAHMNRGODVICA-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.57
Rot. Bonds5

About 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one

4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one (PubChem CID 174592375) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one.

Molecular Properties

Compound Name4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one
PubChem CID174592375
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one
SMILESCc1cc(-c2cnc(C(=O)CCCF)o2)no1
InChIInChI=1S/C11H11FN2O3/c1-7-5-8(14-17-7)10-6-13-11(16-10)9(15)3-2-4-12/h5-6H,2-4H2,1H3
InChIKeyNAAHMNRGODVICA-UHFFFAOYSA-N
XLogP2.57
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one?
The IUPAC name of 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one (CID 174592375) is 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one.
What is the SMILES notation for 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one?
The canonical SMILES for 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one is Cc1cc(-c2cnc(C(=O)CCCF)o2)no1.
What is the InChIKey of 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one?
The InChIKey is NAAHMNRGODVICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-7-5-8(14-17-7)10-6-13-11(16-10)9(15)3-2-4-12/h5-6H,2-4H2,1H3.
What are the key properties of 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one?
4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one has a molecular weight of 238.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one is sourced from PubChem (CID 174592375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).