4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole

C16H22N4O2 — CID 139028733

IUPAC4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCc1cnc(OC2CCN(Cc3cnoc3C)CC2)nc1
InChIInChI=1S/C16H22N4O2/c1-3-13-8-17-16(18-9-13)21-15-4-6-20(7-5-15)11-14-10-19-22-12(14)2/h8-10,15H,3-7,11H2,1-2H3
InChIKeyHPCABAJRLKGJPI-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.38
Rot. Bonds5

About 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole

4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 139028733) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID139028733
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCc1cnc(OC2CCN(Cc3cnoc3C)CC2)nc1
InChIInChI=1S/C16H22N4O2/c1-3-13-8-17-16(18-9-13)21-15-4-6-20(7-5-15)11-14-10-19-22-12(14)2/h8-10,15H,3-7,11H2,1-2H3
InChIKeyHPCABAJRLKGJPI-UHFFFAOYSA-N
XLogP2.38
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile
CID 121174314
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 154580773
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine
CID 136551054
5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
CID 139028966
4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 139022951
3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile
CID 139023001
1-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 139022949
1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119101550
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
CID 91832687
5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 121174204

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 139028733) is 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole is CCc1cnc(OC2CCN(Cc3cnoc3C)CC2)nc1.
What is the InChIKey of 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is HPCABAJRLKGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-13-8-17-16(18-9-13)21-15-4-6-20(7-5-15)11-14-10-19-22-12(14)2/h8-10,15H,3-7,11H2,1-2H3.
What are the key properties of 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 302.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 139028733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).