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

C13H13ClFNO — CID 164775361

IUPAC4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole
SMILESCC(C)(C)c1cc(-c2cocn2)cc(Cl)c1F
InChIInChI=1S/C13H13ClFNO/c1-13(2,3)9-4-8(5-10(14)12(9)15)11-6-17-7-16-11/h4-7H,1-3H3
InChIKeyWPMZWYKKOCZPOW-UHFFFAOYSA-N
MW253.70 g/mol
LogP4.43
Rot. Bonds1

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

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole (PubChem CID 164775361) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole
PubChem CID164775361
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole
SMILESCC(C)(C)c1cc(-c2cocn2)cc(Cl)c1F
InChIInChI=1S/C13H13ClFNO/c1-13(2,3)9-4-8(5-10(14)12(9)15)11-6-17-7-16-11/h4-7H,1-3H3
InChIKeyWPMZWYKKOCZPOW-UHFFFAOYSA-N
XLogP4.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole (CID 164775361) is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole is CC(C)(C)c1cc(-c2cocn2)cc(Cl)c1F.
What is the InChIKey of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole?
The InChIKey is WPMZWYKKOCZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-13(2,3)9-4-8(5-10(14)12(9)15)11-6-17-7-16-11/h4-7H,1-3H3.
What are the key properties of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole?
4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole has a molecular weight of 253.70 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 164775361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).