2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole

C25H22N6O2 — CID 71497998

IUPAC2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cn(-c3cc(OC4CCN(c5nc6ccccc6o5)CC4)ncn3)cn2)cc1
InChIInChI=1S/C25H22N6O2/c1-2-6-18(7-3-1)21-15-31(17-28-21)23-14-24(27-16-26-23)32-19-10-12-30(13-11-19)25-29-20-8-4-5-9-22(20)33-25/h1-9,14-17,19H,10-13H2
InChIKeyIHCQZIAIVSLPJP-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.52
Rot. Bonds5

About 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole

2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole (PubChem CID 71497998) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole
PubChem CID71497998
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cn(-c3cc(OC4CCN(c5nc6ccccc6o5)CC4)ncn3)cn2)cc1
InChIInChI=1S/C25H22N6O2/c1-2-6-18(7-3-1)21-15-31(17-28-21)23-14-24(27-16-26-23)32-19-10-12-30(13-11-19)25-29-20-8-4-5-9-22(20)33-25/h1-9,14-17,19H,10-13H2
InChIKeyIHCQZIAIVSLPJP-UHFFFAOYSA-N
XLogP4.52
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 60166171
7-((4aS,7aS)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridin-1-yl)-2-phenyl-oxazolo[5,4-d]pyrimidine
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[1-[3-[4-(1,3-Benzoxazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole (CID 71497998) is 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole is c1ccc(-c2cn(-c3cc(OC4CCN(c5nc6ccccc6o5)CC4)ncn3)cn2)cc1.
What is the InChIKey of 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole?
The InChIKey is IHCQZIAIVSLPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-2-6-18(7-3-1)21-15-31(17-28-21)23-14-24(27-16-26-23)32-19-10-12-30(13-11-19)25-29-20-8-4-5-9-22(20)33-25/h1-9,14-17,19H,10-13H2.
What are the key properties of 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole?
2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole has a molecular weight of 438.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 71497998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).