4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C19H19F2NO — CID 14853220

IUPAC4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C19H19F2NO/c1-19(2,3)13-9-7-12(8-10-13)16-11-23-18(22-16)17-14(20)5-4-6-15(17)21/h4-10,16H,11H2,1-3H3
InChIKeyBSLYZWPZAJLGFG-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.78
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853220) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853220
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C19H19F2NO/c1-19(2,3)13-9-7-12(8-10-13)16-11-23-18(22-16)17-14(20)5-4-6-15(17)21/h4-10,16H,11H2,1-3H3
InChIKeyBSLYZWPZAJLGFG-UHFFFAOYSA-N
XLogP4.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 14853220) is 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BSLYZWPZAJLGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c1-19(2,3)13-9-7-12(8-10-13)16-11-23-18(22-16)17-14(20)5-4-6-15(17)21/h4-10,16H,11H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 315.36 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).