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

C19H20N4O2 — CID 46270779

IUPAC1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(c2nc3ncccc3o2)CC1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-14(15-6-3-2-4-7-15)18(24)22-10-12-23(13-11-22)19-21-17-16(25-19)8-5-9-20-17/h2-9,14H,10-13H2,1H3
InChIKeyUABQAKOKGKFWHB-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.68
Rot. Bonds3

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

1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 46270779) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID46270779
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(c2nc3ncccc3o2)CC1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-14(15-6-3-2-4-7-15)18(24)22-10-12-23(13-11-22)19-21-17-16(25-19)8-5-9-20-17/h2-9,14H,10-13H2,1H3
InChIKeyUABQAKOKGKFWHB-UHFFFAOYSA-N
XLogP2.68
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
(2-bromophenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 50755015
2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 50754741
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 134792559
(1,5-dimethylpyrazol-3-yl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340041
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270817
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90653842
1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328723

Frequently Asked Questions

What is the IUPAC name of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one (CID 46270779) is 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one is CC(C(=O)N1CCN(c2nc3ncccc3o2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is UABQAKOKGKFWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(15-6-3-2-4-7-15)18(24)22-10-12-23(13-11-22)19-21-17-16(25-19)8-5-9-20-17/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one?
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 336.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 46270779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).