5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole

C8H9ClF3NO — CID 146379119

IUPAC5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1oc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H9ClF3NO/c1-7(2,3)5-4(8(10,11)12)13-6(9)14-5/h1-3H3
InChIKeyQMNLMZVTTNIBQX-UHFFFAOYSA-N
MW227.61 g/mol
LogP3.64
Rot. Bonds

About 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole

5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 146379119) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole
PubChem CID146379119
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1oc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H9ClF3NO/c1-7(2,3)5-4(8(10,11)12)13-6(9)14-5/h1-3H3
InChIKeyQMNLMZVTTNIBQX-UHFFFAOYSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 57709374
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
5-Ethyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 68241587
5-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 139342279
Ethane;5-ethyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 144000893
5-Tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole
CID 146377728
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-2-methoxy-4-(trifluoromethyl)-1,3-oxazole
CID 146379105

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole (CID 146379119) is 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole is CC(C)(C)c1oc(Cl)nc1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is QMNLMZVTTNIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO/c1-7(2,3)5-4(8(10,11)12)13-6(9)14-5/h1-3H3.
What are the key properties of 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole?
5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 227.61 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 146379119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).