[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

C28H26N4O3 — CID 16612988

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccc(C(=O)N4CCC(c5nc6ccccc6o5)CC4)cc3)nc12
InChIInChI=1S/C28H26N4O3/c1-19-5-4-14-32-17-22(29-26(19)32)18-34-23-10-8-21(9-11-23)28(33)31-15-12-20(13-16-31)27-30-24-6-2-3-7-25(24)35-27/h2-11,14,17,20H,12-13,15-16,18H2,1H3
InChIKeyVKMDXMXONNXWGT-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.38
Rot. Bonds5

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (PubChem CID 16612988) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
PubChem CID16612988
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccc(C(=O)N4CCC(c5nc6ccccc6o5)CC4)cc3)nc12
InChIInChI=1S/C28H26N4O3/c1-19-5-4-14-32-17-22(29-26(19)32)18-34-23-10-8-21(9-11-23)28(33)31-15-12-20(13-16-31)27-30-24-6-2-3-7-25(24)35-27/h2-11,14,17,20H,12-13,15-16,18H2,1H3
InChIKeyVKMDXMXONNXWGT-UHFFFAOYSA-N
XLogP5.38
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (CID 16612988) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is Cc1cccn2cc(COc3ccc(C(=O)N4CCC(c5nc6ccccc6o5)CC4)cc3)nc12.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The InChIKey is VKMDXMXONNXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-19-5-4-14-32-17-22(29-26(19)32)18-34-23-10-8-21(9-11-23)28(33)31-15-12-20(13-16-31)27-30-24-6-2-3-7-25(24)35-27/h2-11,14,17,20H,12-13,15-16,18H2,1H3.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone has a molecular weight of 466.54 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 16612988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).