2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole

C18H19NO — CID 132966346

IUPAC2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc(Cc2nc3ccccc3o2)cc1
InChIInChI=1S/C18H19NO/c1-18(2,3)14-10-8-13(9-11-14)12-17-19-15-6-4-5-7-16(15)20-17/h4-11H,12H2,1-3H3
InChIKeyJXOZVKJLRVDCHH-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.72
Rot. Bonds2

About 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole

2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole (PubChem CID 132966346) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole
PubChem CID132966346
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc(Cc2nc3ccccc3o2)cc1
InChIInChI=1S/C18H19NO/c1-18(2,3)14-10-8-13(9-11-14)12-17-19-15-6-4-5-7-16(15)20-17/h4-11H,12H2,1-3H3
InChIKeyJXOZVKJLRVDCHH-UHFFFAOYSA-N
XLogP4.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,3-benzoxazol-2-ylmethyl)benzonitrile
CID 12624564
5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468006
2-ethyl-1,3-benzoxazole
CID 23239
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948
5-tert-butyl-2-[(3-methylphenyl)methyl]-1,3-benzoxazole
CID 53418563
2-[(3-bromophenyl)methyl]-1,3-benzoxazole
CID 82489683
3-(1,3-benzoxazol-2-yl)-2-methyl-2-phenylpropanoic acid
CID 43471005
4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974
2-(quinolin-2-ylmethyl)-1,3-benzoxazole
CID 163990479
2-(2-bromo-4,4-dimethylpentyl)-1,3-benzoxazole
CID 66461437
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 54858220
5-tert-butyl-2-[(3-nitrophenyl)methyl]-1,3-benzoxazole
CID 53418564

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole (CID 132966346) is 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole is CC(C)(C)c1ccc(Cc2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole?
The InChIKey is JXOZVKJLRVDCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2,3)14-10-8-13(9-11-14)12-17-19-15-6-4-5-7-16(15)20-17/h4-11H,12H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole?
2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole has a molecular weight of 265.36 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 132966346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).