3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole

C7H12FNO — CID 59667615

IUPAC3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(F)C1
InChIInChI=1S/C7H12FNO/c1-7(2,3)5-4-6(8)10-9-5/h6H,4H2,1-3H3
InChIKeyXWJSZOXEKQHJDS-UHFFFAOYSA-N
MW145.18 g/mol
LogP2.10
Rot. Bonds

About 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole

3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole (PubChem CID 59667615) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole
PubChem CID59667615
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(F)C1
InChIInChI=1S/C7H12FNO/c1-7(2,3)5-4-6(8)10-9-5/h6H,4H2,1-3H3
InChIKeyXWJSZOXEKQHJDS-UHFFFAOYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Tert-butyl-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
CID 154714703
3-Tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 23529034
3-Ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
CID 67989550
5-Fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 88991472
(5S)-3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 167230063
3,4,4-tris(fluoromethyl)-5H-1,2-oxazole
CID 175862101
3-Tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 11019757
3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole
CID 151579195
3-Tert-butyl-4,5-dihydro-1,2-oxazole
CID 13523872
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381
3-Tert-butyl-5-deuterio-4,5-dihydro-1,2-oxazole
CID 58901414
(5S)-3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 60066049

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole (CID 59667615) is 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole is CC(C)(C)C1=NOC(F)C1.
What is the InChIKey of 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole?
The InChIKey is XWJSZOXEKQHJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-7(2,3)5-4-6(8)10-9-5/h6H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole?
3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole has a molecular weight of 145.18 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-fluoro-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59667615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).