4-tert-butyl-5-(difluoromethyl)-1,3-oxazole

C8H11F2NO — CID 153449524

IUPAC4-tert-butyl-5-(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncoc1C(F)F
InChIInChI=1S/C8H11F2NO/c1-8(2,3)6-5(7(9)10)12-4-11-6/h4,7H,1-3H3
InChIKeyZODNBVILRMDRHX-UHFFFAOYSA-N
MW175.18 g/mol
LogP2.91
Rot. Bonds1

About 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole

4-tert-butyl-5-(difluoromethyl)-1,3-oxazole (PubChem CID 153449524) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-5-(difluoromethyl)-1,3-oxazole
PubChem CID153449524
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-tert-butyl-5-(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncoc1C(F)F
InChIInChI=1S/C8H11F2NO/c1-8(2,3)6-5(7(9)10)12-4-11-6/h4,7H,1-3H3
InChIKeyZODNBVILRMDRHX-UHFFFAOYSA-N
XLogP2.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole?
The IUPAC name of 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole (CID 153449524) is 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole is CC(C)(C)c1ncoc1C(F)F.
What is the InChIKey of 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole?
The InChIKey is ZODNBVILRMDRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-8(2,3)6-5(7(9)10)12-4-11-6/h4,7H,1-3H3.
What are the key properties of 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole?
4-tert-butyl-5-(difluoromethyl)-1,3-oxazole has a molecular weight of 175.18 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(difluoromethyl)-1,3-oxazole is sourced from PubChem (CID 153449524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).