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

C15H16N4O — CID 70720553

IUPAC2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCC(c4ncc[nH]4)CC3)nc2c1
InChIInChI=1S/C15H16N4O/c1-2-4-13-12(3-1)18-15(20-13)19-9-5-11(6-10-19)14-16-7-8-17-14/h1-4,7-8,11H,5-6,9-10H2,(H,16,17)
InChIKeyUBJPPSCNBPDCEH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.93
Rot. Bonds2

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

2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole (PubChem CID 70720553) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
PubChem CID70720553
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCC(c4ncc[nH]4)CC3)nc2c1
InChIInChI=1S/C15H16N4O/c1-2-4-13-12(3-1)18-15(20-13)19-9-5-11(6-10-19)14-16-7-8-17-14/h1-4,7-8,11H,5-6,9-10H2,(H,16,17)
InChIKeyUBJPPSCNBPDCEH-UHFFFAOYSA-N
XLogP2.93
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole (CID 70720553) is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole is c1ccc2oc(N3CCC(c4ncc[nH]4)CC3)nc2c1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole?
The InChIKey is UBJPPSCNBPDCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-4-13-12(3-1)18-15(20-13)19-9-5-11(6-10-19)14-16-7-8-17-14/h1-4,7-8,11H,5-6,9-10H2,(H,16,17).
What are the key properties of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole?
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 268.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 70720553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).