4-fluoro-5-propan-2-yl-1,3-oxazole

C6H8FNO — CID 171831430

IUPAC4-fluoro-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1F
InChIInChI=1S/C6H8FNO/c1-4(2)5-6(7)8-3-9-5/h3-4H,1-2H3
InChIKeyFAXXEPZOSDFXEV-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.94
Rot. Bonds1

About 4-fluoro-5-propan-2-yl-1,3-oxazole

4-fluoro-5-propan-2-yl-1,3-oxazole (PubChem CID 171831430) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-1,3-oxazole
PubChem CID171831430
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-fluoro-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1F
InChIInChI=1S/C6H8FNO/c1-4(2)5-6(7)8-3-9-5/h3-4H,1-2H3
InChIKeyFAXXEPZOSDFXEV-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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Related Compounds

4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163494
5-fluoro-7-propan-2-yl-1,3-benzoxazole
CID 178038832
2-bromo-1-(5-propan-2-yl-1,3-oxazol-4-yl)ethanone
CID 126621241
4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
CID 159283548
4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole
CID 163706383
4-fluoro-5-propan-2-yl-1,2-oxazole
CID 153457637
2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144930
2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol
CID 110006114
6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998206
(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 97334343
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 122697307
1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 86789525

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-fluoro-5-propan-2-yl-1,3-oxazole (CID 171831430) is 4-fluoro-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-fluoro-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1F.
What is the InChIKey of 4-fluoro-5-propan-2-yl-1,3-oxazole?
The InChIKey is FAXXEPZOSDFXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-4(2)5-6(7)8-3-9-5/h3-4H,1-2H3.
What are the key properties of 4-fluoro-5-propan-2-yl-1,3-oxazole?
4-fluoro-5-propan-2-yl-1,3-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-1,3-oxazole is sourced from PubChem (CID 171831430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).