2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole

C9H14FNO — CID 155709555

IUPAC2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole
SMILESCCc1nc(C(C)(C)CF)co1
InChIInChI=1S/C9H14FNO/c1-4-8-11-7(5-12-8)9(2,3)6-10/h5H,4,6H2,1-3H3
InChIKeyGMDWTAKHQXQYEY-UHFFFAOYSA-N
MW171.21 g/mol
LogP2.48
Rot. Bonds3

About 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole

2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole (PubChem CID 155709555) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole
PubChem CID155709555
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole
SMILESCCc1nc(C(C)(C)CF)co1
InChIInChI=1S/C9H14FNO/c1-4-8-11-7(5-12-8)9(2,3)6-10/h5H,4,6H2,1-3H3
InChIKeyGMDWTAKHQXQYEY-UHFFFAOYSA-N
XLogP2.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole?
The IUPAC name of 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole (CID 155709555) is 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole is CCc1nc(C(C)(C)CF)co1.
What is the InChIKey of 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole?
The InChIKey is GMDWTAKHQXQYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-4-8-11-7(5-12-8)9(2,3)6-10/h5H,4,6H2,1-3H3.
What are the key properties of 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole?
2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole has a molecular weight of 171.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole is sourced from PubChem (CID 155709555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).