2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole

C17H20N4O — CID 139000191

IUPAC2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole
SMILESCC(c1nc2ccccc2o1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C17H20N4O/c1-12(17-20-14-4-2-3-5-15(14)22-17)21-10-6-13(7-11-21)16-18-8-9-19-16/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyUZOCWQJRNVTFHK-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.49
Rot. Bonds3

About 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole

2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole (PubChem CID 139000191) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole
PubChem CID139000191
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole
SMILESCC(c1nc2ccccc2o1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C17H20N4O/c1-12(17-20-14-4-2-3-5-15(14)22-17)21-10-6-13(7-11-21)16-18-8-9-19-16/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyUZOCWQJRNVTFHK-UHFFFAOYSA-N
XLogP3.49
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole (CID 139000191) is 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole is CC(c1nc2ccccc2o1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole?
The InChIKey is UZOCWQJRNVTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(17-20-14-4-2-3-5-15(14)22-17)21-10-6-13(7-11-21)16-18-8-9-19-16/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole?
2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole has a molecular weight of 296.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole is sourced from PubChem (CID 139000191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).