2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone

C19H18ClN3O3 — CID 121017833

IUPAC2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C19H18ClN3O3/c20-15-12-21-8-5-18(15)25-13-6-9-23(10-7-13)19(24)11-16-14-3-1-2-4-17(14)26-22-16/h1-5,8,12-13H,6-7,9-11H2
InChIKeyBTVRBSNVORBWKJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.49
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone

2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone (PubChem CID 121017833) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
PubChem CID121017833
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C19H18ClN3O3/c20-15-12-21-8-5-18(15)25-13-6-9-23(10-7-13)19(24)11-16-14-3-1-2-4-17(14)26-22-16/h1-5,8,12-13H,6-7,9-11H2
InChIKeyBTVRBSNVORBWKJ-UHFFFAOYSA-N
XLogP3.49
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone
CID 124568654
2-(1,2-benzoxazol-3-yl)-1-[4-(chloromethyl)piperidin-1-yl]ethanone
CID 63397987
2-(1,2-benzoxazol-3-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 121017622
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
2-(1,2-benzoxazol-3-yl)-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone
CID 9210016
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 121017872
1-[4-(benzenesulfonyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 71808758
2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 119100578
2-(1,2-benzoxazol-3-yl)-1-(4-chloro-3-methylpiperidin-1-yl)ethanone
CID 114682976

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone (CID 121017833) is 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone is O=C(Cc1noc2ccccc12)N1CCC(Oc2ccncc2Cl)CC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone?
The InChIKey is BTVRBSNVORBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-12-21-8-5-18(15)25-13-6-9-23(10-7-13)19(24)11-16-14-3-1-2-4-17(14)26-22-16/h1-5,8,12-13H,6-7,9-11H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone has a molecular weight of 371.82 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 121017833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).