3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole

C9H14FNO — CID 58267830

IUPAC3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C(C)(C)F)no1
InChIInChI=1S/C9H14FNO/c1-6(2)7-5-8(11-12-7)9(3,4)10/h5-6H,1-4H3
InChIKeyZBJPYWQVRMMEIZ-UHFFFAOYSA-N
MW171.21 g/mol
LogP3.00
Rot. Bonds2

About 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole

3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole (PubChem CID 58267830) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole
PubChem CID58267830
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C(C)(C)F)no1
InChIInChI=1S/C9H14FNO/c1-6(2)7-5-8(11-12-7)9(3,4)10/h5-6H,1-4H3
InChIKeyZBJPYWQVRMMEIZ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole (CID 58267830) is 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole is CC(C)c1cc(C(C)(C)F)no1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
The InChIKey is ZBJPYWQVRMMEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6(2)7-5-8(11-12-7)9(3,4)10/h5-6H,1-4H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole has a molecular weight of 171.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 58267830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).