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

C9H9F6NO — CID 146377728

IUPAC5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1oc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H9F6NO/c1-7(2,3)5-4(8(10,11)12)16-6(17-5)9(13,14)15/h1-3H3
InChIKeyZVCCLEBKDBCRIW-UHFFFAOYSA-N
MW261.17 g/mol
LogP4.01
Rot. Bonds

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

5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole (PubChem CID 146377728) has the molecular formula C9H9F6NO and a molecular weight of 261.17 g/mol. Its IUPAC name is 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole
PubChem CID146377728
Molecular FormulaC9H9F6NO
Molecular Weight261.17 g/mol
Exact Mass261.06
IUPAC Name5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1oc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H9F6NO/c1-7(2,3)5-4(8(10,11)12)16-6(17-5)9(13,14)15/h1-3H3
InChIKeyZVCCLEBKDBCRIW-UHFFFAOYSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2,4-dimethyloxazole
CID 525776
5-Ethyl-2-isopropyl-4-methyloxazole
CID 586570
4,5-Diethyl-2-methyloxazole
CID 57112222
4-Ethyl-5-methyl-2-propyloxazole
CID 580375
2,4,5-Triethyloxazole
CID 3016238
4-Ethyl-2-isobutyl-5-methyloxazole
CID 580607
2,5-Diethyl-4-methyloxazole
CID 579913
4,5-Diisopropyl-2-methyloxazole
CID 20770924
4-Tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 57709374
5-Tert-butyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 57709386
2,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole
CID 58428465
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole (CID 146377728) is 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole is CC(C)(C)c1oc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole?
The InChIKey is ZVCCLEBKDBCRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6NO/c1-7(2,3)5-4(8(10,11)12)16-6(17-5)9(13,14)15/h1-3H3.
What are the key properties of 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole?
5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole has a molecular weight of 261.17 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 146377728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).