4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide

C20H21N5O3 — CID 86969093

IUPAC4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide
SMILESCCc1noc2ncc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc12
InChIInChI=1S/C20H21N5O3/c1-2-17-16-11-14(12-22-19(16)28-23-17)20(27)25-9-7-24(8-10-25)15-5-3-13(4-6-15)18(21)26/h3-6,11-12H,2,7-10H2,1H3,(H2,21,26)
InChIKeyWSTFQKMIUFDAQM-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.85
Rot. Bonds4

About 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide

4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide (PubChem CID 86969093) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide
PubChem CID86969093
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide
SMILESCCc1noc2ncc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc12
InChIInChI=1S/C20H21N5O3/c1-2-17-16-11-14(12-22-19(16)28-23-17)20(27)25-9-7-24(8-10-25)15-5-3-13(4-6-15)18(21)26/h3-6,11-12H,2,7-10H2,1H3,(H2,21,26)
InChIKeyWSTFQKMIUFDAQM-UHFFFAOYSA-N
XLogP1.85
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146085166
(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 99701713
3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 102558109
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473924
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768550
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995580
N-(2-amino-2-methylpropyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119626084
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 126769214
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
4-[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]benzamide
CID 86969186
(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 55178781
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide (CID 86969093) is 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide is CCc1noc2ncc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc12.
What is the InChIKey of 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is WSTFQKMIUFDAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-17-16-11-14(12-22-19(16)28-23-17)20(27)25-9-7-24(8-10-25)15-5-3-13(4-6-15)18(21)26/h3-6,11-12H,2,7-10H2,1H3,(H2,21,26).
What are the key properties of 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide?
4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 86969093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).