2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole

C9H14FNO — CID 57040787

IUPAC2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(CCF)o1
InChIInChI=1S/C9H14FNO/c1-9(2,3)8-11-6-7(12-8)4-5-10/h6H,4-5H2,1-3H3
InChIKeyIPOZGMVIHATRQI-UHFFFAOYSA-N
MW171.21 g/mol
LogP2.48
Rot. Bonds2

About 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole

2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole (PubChem CID 57040787) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole
PubChem CID57040787
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(CCF)o1
InChIInChI=1S/C9H14FNO/c1-9(2,3)8-11-6-7(12-8)4-5-10/h6H,4-5H2,1-3H3
InChIKeyIPOZGMVIHATRQI-UHFFFAOYSA-N
XLogP2.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole (CID 57040787) is 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole is CC(C)(C)c1ncc(CCF)o1.
What is the InChIKey of 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole?
The InChIKey is IPOZGMVIHATRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-9(2,3)8-11-6-7(12-8)4-5-10/h6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole?
2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole has a molecular weight of 171.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-fluoroethyl)-1,3-oxazole is sourced from PubChem (CID 57040787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).