[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate

C19H18N2O3 — CID 13078339

IUPAC[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(c2noc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-19(15-6-2-1-3-7-15)24-21-12-10-14(11-13-21)18-16-8-4-5-9-17(16)23-20-18/h1-9,14H,10-13H2
InChIKeyBMWDKNJLXMCLEF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.78
Rot. Bonds3

About [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate

[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate (PubChem CID 13078339) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate.

Molecular Properties

Compound Name[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
PubChem CID13078339
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(c2noc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-19(15-6-2-1-3-7-15)24-21-12-10-14(11-13-21)18-16-8-4-5-9-17(16)23-20-18/h1-9,14H,10-13H2
InChIKeyBMWDKNJLXMCLEF-UHFFFAOYSA-N
XLogP3.78
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,2-benzothiazol-3-yl)piperidin-1-yl] benzoate
CID 13324096
3-[[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]pentane-2,4-dione
CID 20707055
(E)-but-2-enedioic acid;3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 174292430
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 15941056
3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
CID 91553600
2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N,N-diethylethanamine;bis(but-2-enedioic acid)
CID 70410215
1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
CID 126455167
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(4-fluorophenyl)but-2-en-1-one
CID 70468999
3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride
CID 13076451
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
CID 126581762
3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 142644427

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate?
The IUPAC name of [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate (CID 13078339) is [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate.
What is the SMILES notation for [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate?
The canonical SMILES for [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate is O=C(ON1CCC(c2noc3ccccc23)CC1)c1ccccc1.
What is the InChIKey of [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate?
The InChIKey is BMWDKNJLXMCLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(15-6-2-1-3-7-15)24-21-12-10-14(11-13-21)18-16-8-4-5-9-17(16)23-20-18/h1-9,14H,10-13H2.
What are the key properties of [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate?
[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate is sourced from PubChem (CID 13078339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).