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

C17H17NO — CID 175772707

IUPAC7-tert-butyl-2-phenyl-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2n[13c](-c3ccccc3)oc12
InChIInChI=1S/C17H17NO/c1-17(2,3)13-10-7-11-14-15(13)19-16(18-14)12-8-5-4-6-9-12/h4-11H,1-3H3/i16+1
InChIKeyMVPNGQWCFYGJSO-LOYIAQTISA-N
MW252.32 g/mol
LogP4.79
Rot. Bonds1

About 7-tert-butyl-2-phenyl-1,3-benzoxazole

7-tert-butyl-2-phenyl-1,3-benzoxazole (PubChem CID 175772707) has the molecular formula C17H17NO and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-tert-butyl-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-tert-butyl-2-phenyl-1,3-benzoxazole
PubChem CID175772707
Molecular FormulaC17H17NO
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7-tert-butyl-2-phenyl-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2n[13c](-c3ccccc3)oc12
InChIInChI=1S/C17H17NO/c1-17(2,3)13-10-7-11-14-15(13)19-16(18-14)12-8-5-4-6-9-12/h4-11H,1-3H3/i16+1
InChIKeyMVPNGQWCFYGJSO-LOYIAQTISA-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 ≤ 500252.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 88733
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CID 16179
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CID 70030
CID 70030
CID 70039
CID 70039
CID 78769
CID 78769
CID 60832
CID 60832
CID 73744
CID 73744
CID 13269
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CID 5332173
CID 5332173

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-tert-butyl-2-phenyl-1,3-benzoxazole (CID 175772707) is 7-tert-butyl-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-tert-butyl-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-tert-butyl-2-phenyl-1,3-benzoxazole is CC(C)(C)c1cccc2n[13c](-c3ccccc3)oc12.
What is the InChIKey of 7-tert-butyl-2-phenyl-1,3-benzoxazole?
The InChIKey is MVPNGQWCFYGJSO-LOYIAQTISA-N. The full InChI is InChI=1S/C17H17NO/c1-17(2,3)13-10-7-11-14-15(13)19-16(18-14)12-8-5-4-6-9-12/h4-11H,1-3H3/i16+1.
What are the key properties of 7-tert-butyl-2-phenyl-1,3-benzoxazole?
7-tert-butyl-2-phenyl-1,3-benzoxazole has a molecular weight of 252.32 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 7-tert-butyl-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 175772707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).