5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole

C19H29F3N2O2 — CID 161246247

IUPAC5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCCc1nc(C)c(C(C)(C)C)o1.Cc1nc(C(C)(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C10H17NO.C9H12F3NO/c1-6-8-11-7(2)9(12-8)10(3,4)5;1-5-13-6(8(2,3)4)7(14-5)9(10,11)12/h6H2,1-5H3;1-4H3
InChIKeyVARHHBKPRHSLNV-UHFFFAOYSA-N
MW374.45 g/mol
LogP6.14
Rot. Bonds1

About 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole

5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 161246247) has the molecular formula C19H29F3N2O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID161246247
Molecular FormulaC19H29F3N2O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Name5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCCc1nc(C)c(C(C)(C)C)o1.Cc1nc(C(C)(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C10H17NO.C9H12F3NO/c1-6-8-11-7(2)9(12-8)10(3,4)5;1-5-13-6(8(2,3)4)7(14-5)9(10,11)12/h6H2,1-5H3;1-4H3
InChIKeyVARHHBKPRHSLNV-UHFFFAOYSA-N
XLogP6.14
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole (CID 161246247) is 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole is CCc1nc(C)c(C(C)(C)C)o1.Cc1nc(C(C)(C)C)c(C(F)(F)F)o1.
What is the InChIKey of 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is VARHHBKPRHSLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C9H12F3NO/c1-6-8-11-7(2)9(12-8)10(3,4)5;1-5-13-6(8(2,3)4)7(14-5)9(10,11)12/h6H2,1-5H3;1-4H3.
What are the key properties of 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole?
5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 374.45 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 161246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).