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

C8H10F3NO — CID 146379450

IUPAC4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncoc1C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-7(2,3)5-6(8(9,10)11)13-4-12-5/h4H,1-3H3
InChIKeyPYMRQAXHNSBGKT-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.99
Rot. Bonds

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

4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 146379450) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID146379450
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncoc1C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-7(2,3)5-6(8(9,10)11)13-4-12-5/h4H,1-3H3
InChIKeyPYMRQAXHNSBGKT-UHFFFAOYSA-N
XLogP2.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.99
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
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
4-Tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 57709374
4-Methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole
CID 90397392
5-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 139342279
5-Tert-butyl-2-fluoro-4-(trifluoromethyl)-1,3-oxazole
CID 146377747
4-Tert-butyl-2-fluoro-5-methyl-1,3-oxazole
CID 146378346
5-Tert-butyl-2-fluoro-4-methyl-1,3-oxazole
CID 146378574
5-Tert-butyl-4-(1-fluoroethyl)-1,3-oxazole
CID 146379103
5-Tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole
CID 146379119

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole (CID 146379450) is 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole is CC(C)(C)c1ncoc1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is PYMRQAXHNSBGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-7(2,3)5-6(8(9,10)11)13-4-12-5/h4H,1-3H3.
What are the key properties of 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 193.17 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 146379450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).