7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen

C18H25N3O — CID 144563711

IUPAC7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen
SMILESCC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.[H][H]
InChIInChI=1S/C18H23N3O.H2/c1-17(2,3)12-8-7-11(14-15(12)22-10-20-14)13-9-19-16(21-13)18(4,5)6;/h7-10H,1-6H3,(H,19,21);1H
InChIKeyCUJBFXIFCYKHSD-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.06
Rot. Bonds1

About 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen

7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen (PubChem CID 144563711) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen.

Molecular Properties

Compound Name7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen
PubChem CID144563711
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen
SMILESCC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.[H][H]
InChIInChI=1S/C18H23N3O.H2/c1-17(2,3)12-8-7-11(14-15(12)22-10-20-14)13-9-19-16(21-13)18(4,5)6;/h7-10H,1-6H3,(H,19,21);1H
InChIKeyCUJBFXIFCYKHSD-UHFFFAOYSA-N
XLogP5.06
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen?
The IUPAC name of 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen (CID 144563711) is 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen.
What is the SMILES notation for 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen?
The canonical SMILES for 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen is CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.[H][H].
What is the InChIKey of 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen?
The InChIKey is CUJBFXIFCYKHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.H2/c1-17(2,3)12-8-7-11(14-15(12)22-10-20-14)13-9-19-16(21-13)18(4,5)6;/h7-10H,1-6H3,(H,19,21);1H.
What are the key properties of 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen?
7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen has a molecular weight of 299.42 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen is sourced from PubChem (CID 144563711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).