4-fluoro-5-propan-2-yl-1,2-oxazole

C6H8FNO — CID 153457637

IUPAC4-fluoro-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1oncc1F
InChIInChI=1S/C6H8FNO/c1-4(2)6-5(7)3-8-9-6/h3-4H,1-2H3
InChIKeyNTGLNOKWDGASGR-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.94
Rot. Bonds1

About 4-fluoro-5-propan-2-yl-1,2-oxazole

4-fluoro-5-propan-2-yl-1,2-oxazole (PubChem CID 153457637) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-1,2-oxazole
PubChem CID153457637
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-fluoro-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1oncc1F
InChIInChI=1S/C6H8FNO/c1-4(2)6-5(7)3-8-9-6/h3-4H,1-2H3
InChIKeyNTGLNOKWDGASGR-UHFFFAOYSA-N
XLogP1.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 4-fluoro-5-propan-2-yl-1,2-oxazole (CID 153457637) is 4-fluoro-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 4-fluoro-5-propan-2-yl-1,2-oxazole is CC(C)c1oncc1F.
What is the InChIKey of 4-fluoro-5-propan-2-yl-1,2-oxazole?
The InChIKey is NTGLNOKWDGASGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-4(2)6-5(7)3-8-9-6/h3-4H,1-2H3.
What are the key properties of 4-fluoro-5-propan-2-yl-1,2-oxazole?
4-fluoro-5-propan-2-yl-1,2-oxazole has a molecular weight of 129.13 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 153457637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).