[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

C19H21N5O2 — CID 163340026

IUPAC[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1
InChIInChI=1S/C19H21N5O2/c1-22(2)15-7-5-14(6-8-15)18(25)23-10-12-24(13-11-23)19-21-17-16(26-19)4-3-9-20-17/h3-9H,10-13H2,1-2H3
InChIKeyQMQWVSSAPHPUPY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.25
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 163340026) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID163340026
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1
InChIInChI=1S/C19H21N5O2/c1-22(2)15-7-5-14(6-8-15)18(25)23-10-12-24(13-11-23)19-21-17-16(26-19)4-3-9-20-17/h3-9H,10-13H2,1-2H3
InChIKeyQMQWVSSAPHPUPY-UHFFFAOYSA-N
XLogP2.25
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
(1,5-dimethylpyrazol-3-yl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340041
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46270779
2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 50754741
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-[1-(2,2-dimethylpropyl)triazol-4-yl]-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carbonyl]benzonitrile
CID 174198414
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 134792559
2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
CID 11452552
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 46270760
[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182198

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 163340026) is [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is QMQWVSSAPHPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-22(2)15-7-5-14(6-8-15)18(25)23-10-12-24(13-11-23)19-21-17-16(26-19)4-3-9-20-17/h3-9H,10-13H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 163340026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).