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

C6H10FNO — CID 88991472

IUPAC5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NOC(F)C1
InChIInChI=1S/C6H10FNO/c1-4(2)5-3-6(7)9-8-5/h4,6H,3H2,1-2H3
InChIKeyJFMKQYZUUDTVPK-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.71
Rot. Bonds1

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

5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 88991472) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID88991472
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NOC(F)C1
InChIInChI=1S/C6H10FNO/c1-4(2)5-3-6(7)9-8-5/h4,6H,3H2,1-2H3
InChIKeyJFMKQYZUUDTVPK-UHFFFAOYSA-N
XLogP1.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole
CID 59667615
3-Ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
CID 67989550
5-Propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 138691689
3,4-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12959091
3-Tert-butyl-4,5-dihydro-1,2-oxazole
CID 13523872
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381
5-Methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 20671522
3,5-dimethyl-5,6-dihydro-4H-oxazine
CID 22965989
(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine
CID 58371706
3-Tert-butyl-5-deuterio-4,5-dihydro-1,2-oxazole
CID 58901414
3-Methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 89187993
(5S)-3-tert-butyl-5-deuterio-4,5-dihydro-1,2-oxazole
CID 89315881

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 88991472) is 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)C1=NOC(F)C1.
What is the InChIKey of 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is JFMKQYZUUDTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4(2)5-3-6(7)9-8-5/h4,6H,3H2,1-2H3.
What are the key properties of 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 131.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 88991472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).