2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone

C18H17ClN4O2 — CID 50754741

IUPAC2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-2-1-4-13(14)12-16(24)22-8-10-23(11-9-22)18-21-17-15(25-18)6-3-7-20-17/h1-7H,8-12H2
InChIKeyHMGKWTJRBDZVOC-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone (PubChem CID 50754741) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
PubChem CID50754741
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-2-1-4-13(14)12-16(24)22-8-10-23(11-9-22)18-21-17-15(25-18)6-3-7-20-17/h1-7H,8-12H2
InChIKeyHMGKWTJRBDZVOC-UHFFFAOYSA-N
XLogP2.77
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 134792559
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
(2-bromophenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 50755015
(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46270779
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 171357656
2-(2-chlorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56528341
[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340026
[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270817
(1,5-dimethylpyrazol-3-yl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340041
2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335184
2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
CID 11452552

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone (CID 50754741) is 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(c2nc3ncccc3o2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is HMGKWTJRBDZVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-5-2-1-4-13(14)12-16(24)22-8-10-23(11-9-22)18-21-17-15(25-18)6-3-7-20-17/h1-7H,8-12H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 356.81 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 50754741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).