N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide

C16H19N5O3 — CID 87017159

IUPACN-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1
InChIInChI=1S/C16H19N5O3/c1-17-15(22)11-20-5-7-21(8-6-20)16(23)13-9-14(24-19-13)12-3-2-4-18-10-12/h2-4,9-10H,5-8,11H2,1H3,(H,17,22)
InChIKeyXIULLFCUXRRZRK-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.24
Rot. Bonds4

About N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide

N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 87017159) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID87017159
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1
InChIInChI=1S/C16H19N5O3/c1-17-15(22)11-20-5-7-21(8-6-20)16(23)13-9-14(24-19-13)12-3-2-4-18-10-12/h2-4,9-10H,5-8,11H2,1H3,(H,17,22)
InChIKeyXIULLFCUXRRZRK-UHFFFAOYSA-N
XLogP0.24
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
(5-pyridin-3-yl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334447
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 46458534
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 55702625
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 53032686
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119651338
[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122342481

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide (CID 87017159) is N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1.
What is the InChIKey of N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is XIULLFCUXRRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-17-15(22)11-20-5-7-21(8-6-20)16(23)13-9-14(24-19-13)12-3-2-4-18-10-12/h2-4,9-10H,5-8,11H2,1H3,(H,17,22).
What are the key properties of N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 87017159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).