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

C8H11F2NO — CID 153449492

IUPAC5-tert-butyl-4-(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1ocnc1C(F)F
InChIInChI=1S/C8H11F2NO/c1-8(2,3)6-5(7(9)10)11-4-12-6/h4,7H,1-3H3
InChIKeyFJKMTTLRWNGWSC-UHFFFAOYSA-N
MW175.18 g/mol
LogP2.91
Rot. Bonds1

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

5-tert-butyl-4-(difluoromethyl)-1,3-oxazole (PubChem CID 153449492) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-(difluoromethyl)-1,3-oxazole
PubChem CID153449492
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-tert-butyl-4-(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1ocnc1C(F)F
InChIInChI=1S/C8H11F2NO/c1-8(2,3)6-5(7(9)10)11-4-12-6/h4,7H,1-3H3
InChIKeyFJKMTTLRWNGWSC-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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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-ethyl-5-methyl
CID 529031
(5-Tert-butyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
CID 145913438
Oxazole, 5-acetoxime-4-methyl-
CID 74051013
5-Tert-butyloxazole-4-carboxaldehyde
CID 21031488
4-(Chloromethyl)-5-(propan-2-yl)-1,3-oxazole
CID 71683235
Oxazole, 5-(2-chloroethyl)-4-(trifluoromethyl)-
CID 20557837
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
5-Tert-butyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 57709386
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484
2-Methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235773

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole (CID 153449492) is 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole is CC(C)(C)c1ocnc1C(F)F.
What is the InChIKey of 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole?
The InChIKey is FJKMTTLRWNGWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-8(2,3)6-5(7(9)10)11-4-12-6/h4,7H,1-3H3.
What are the key properties of 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole?
5-tert-butyl-4-(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 5-tert-butyl-4-(difluoromethyl)-1,3-oxazole is sourced from PubChem (CID 153449492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).