(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone

C20H28N6O2 — CID 45167683

IUPAC(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C20H28N6O2/c1-2-16-6-3-4-9-26(16)19(27)17-15-28-18(23-17)14-24-10-12-25(13-11-24)20-21-7-5-8-22-20/h5,7-8,15-16H,2-4,6,9-14H2,1H3
InChIKeyJPAVSMIMSYYJQO-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.19
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone

(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 45167683) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID45167683
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C20H28N6O2/c1-2-16-6-3-4-9-26(16)19(27)17-15-28-18(23-17)14-24-10-12-25(13-11-24)20-21-7-5-8-22-20/h5,7-8,15-16H,2-4,6,9-14H2,1H3
InChIKeyJPAVSMIMSYYJQO-UHFFFAOYSA-N
XLogP2.19
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

(2-ethylpiperidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216338
N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56702419
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
[2-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109174674
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109139231
(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856349
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 56707163
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 95204810
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310228
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone (CID 45167683) is (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone is CCC1CCCCN1C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is JPAVSMIMSYYJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-2-16-6-3-4-9-26(16)19(27)17-15-28-18(23-17)14-24-10-12-25(13-11-24)20-21-7-5-8-22-20/h5,7-8,15-16H,2-4,6,9-14H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 45167683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).