2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole

C18H18N2O2 — CID 155569925

IUPAC2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
SMILESc1ccc(OC2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-6-14(7-3-1)21-15-10-12-20(13-11-15)18-19-16-8-4-5-9-17(16)22-18/h1-9,15H,10-13H2
InChIKeyREVJJQVETPLEGR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole

2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole (PubChem CID 155569925) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
PubChem CID155569925
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
SMILESc1ccc(OC2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-6-14(7-3-1)21-15-10-12-20(13-11-15)18-19-16-8-4-5-9-17(16)22-18/h1-9,15H,10-13H2
InChIKeyREVJJQVETPLEGR-UHFFFAOYSA-N
XLogP3.88
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1,3-benzoxazole
CID 71891792
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole
CID 133406479
6-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]oxy-5-chloropyran-2-one
CID 123798896
1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307563
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 174972137
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine
CID 122154060
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
2-(4-thiomorpholin-4-ylpiperidin-1-yl)-1,3-benzoxazole
CID 171328274
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
CID 70720553

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole (CID 155569925) is 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole is c1ccc(OC2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole?
The InChIKey is REVJJQVETPLEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-6-14(7-3-1)21-15-10-12-20(13-11-15)18-19-16-8-4-5-9-17(16)22-18/h1-9,15H,10-13H2.
What are the key properties of 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole?
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole has a molecular weight of 294.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 155569925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).