5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole

C18H19NO — CID 129228304

IUPAC5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
SMILESCC(C)(C)Cc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H19NO/c1-18(2,3)12-13-9-10-16-15(11-13)19-17(20-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyAOIJNPMTJSDVOX-UHFFFAOYSA-N
MW265.36 g/mol
LogP5.08
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole

5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole (PubChem CID 129228304) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
PubChem CID129228304
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
SMILESCC(C)(C)Cc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H19NO/c1-18(2,3)12-13-9-10-16-15(11-13)19-17(20-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyAOIJNPMTJSDVOX-UHFFFAOYSA-N
XLogP5.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
CID 58709704
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 91677714
2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 68572114
2-amino-5-[(2-phenyl-1,3-benzoxazol-5-yl)methyl]-1,3-thiazol-4-one
CID 10543905
5-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propan-2-yl]-2-phenyl-1,3-benzoxazole
CID 144938043
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole (CID 129228304) is 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole is CC(C)(C)Cc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole?
The InChIKey is AOIJNPMTJSDVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2,3)12-13-9-10-16-15(11-13)19-17(20-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole?
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole has a molecular weight of 265.36 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 129228304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).