2-tert-butyl-4-phenyl-1,3-benzoxazole

C17H17NO — CID 177085826

IUPAC2-tert-butyl-4-phenyl-1,3-benzoxazole
SMILESCC(C)(C)c1nc2c(-c3ccccc3)cccc2o1
InChIInChI=1S/C17H17NO/c1-17(2,3)16-18-15-13(10-7-11-14(15)19-16)12-8-5-4-6-9-12/h4-11H,1-3H3
InChIKeyLIKMOKZDSUUFAS-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.79
Rot. Bonds1

About 2-tert-butyl-4-phenyl-1,3-benzoxazole

2-tert-butyl-4-phenyl-1,3-benzoxazole (PubChem CID 177085826) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-1,3-benzoxazole
PubChem CID177085826
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-tert-butyl-4-phenyl-1,3-benzoxazole
SMILESCC(C)(C)c1nc2c(-c3ccccc3)cccc2o1
InChIInChI=1S/C17H17NO/c1-17(2,3)16-18-15-13(10-7-11-14(15)19-16)12-8-5-4-6-9-12/h4-11H,1-3H3
InChIKeyLIKMOKZDSUUFAS-UHFFFAOYSA-N
XLogP4.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1,3-benzoxazol-2-amine
CID 70467238
(2-tert-butyl-1,3-benzoxazol-4-yl)methanol
CID 118375075
4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
CID 175190264
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
CID 22377866
1-(4-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine
CID 62487316
7-bromo-2-tert-butyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
CID 68585517
4-phenyl-2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzoxazole
CID 66598166
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
1-tert-butyl-9-(3,5-ditert-butylphenyl)-2-phenyldibenzofuran
CID 146579029
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran
CID 146579183
4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 13278515
2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-1,3-benzoxazole?
The IUPAC name of 2-tert-butyl-4-phenyl-1,3-benzoxazole (CID 177085826) is 2-tert-butyl-4-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-tert-butyl-4-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-tert-butyl-4-phenyl-1,3-benzoxazole is CC(C)(C)c1nc2c(-c3ccccc3)cccc2o1.
What is the InChIKey of 2-tert-butyl-4-phenyl-1,3-benzoxazole?
The InChIKey is LIKMOKZDSUUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-17(2,3)16-18-15-13(10-7-11-14(15)19-16)12-8-5-4-6-9-12/h4-11H,1-3H3.
What are the key properties of 2-tert-butyl-4-phenyl-1,3-benzoxazole?
2-tert-butyl-4-phenyl-1,3-benzoxazole has a molecular weight of 251.33 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-phenyl-1,3-benzoxazole is sourced from PubChem (CID 177085826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).