7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole

C17H16FNO — CID 82233477

IUPAC7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2nc(-c3ccc(F)cc3)oc12
InChIInChI=1S/C17H16FNO/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11/h4-10H,1-3H3
InChIKeyACDFJYWWECNRLP-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.93
Rot. Bonds1

About 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole

7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole (PubChem CID 82233477) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole
PubChem CID82233477
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2nc(-c3ccc(F)cc3)oc12
InChIInChI=1S/C17H16FNO/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11/h4-10H,1-3H3
InChIKeyACDFJYWWECNRLP-UHFFFAOYSA-N
XLogP4.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole (CID 82233477) is 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole is CC(C)(C)c1cccc2nc(-c3ccc(F)cc3)oc12.
What is the InChIKey of 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole?
The InChIKey is ACDFJYWWECNRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11/h4-10H,1-3H3.
What are the key properties of 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole?
7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole has a molecular weight of 269.32 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 82233477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).