3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C20H22N4O4 — CID 122268126

IUPAC3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCCc1cnc(OC2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nc1
InChIInChI=1S/C20H22N4O4/c1-2-14-10-21-19(22-11-14)27-15-6-5-9-23(12-15)18(25)13-24-16-7-3-4-8-17(16)28-20(24)26/h3-4,7-8,10-11,15H,2,5-6,9,12-13H2,1H3
InChIKeyOJJQEUNDXMNGSA-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.02
Rot. Bonds5

About 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 122268126) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID122268126
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCCc1cnc(OC2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nc1
InChIInChI=1S/C20H22N4O4/c1-2-14-10-21-19(22-11-14)27-15-6-5-9-23(12-15)18(25)13-24-16-7-3-4-8-17(16)28-20(24)26/h3-4,7-8,10-11,15H,2,5-6,9,12-13H2,1H3
InChIKeyOJJQEUNDXMNGSA-UHFFFAOYSA-N
XLogP2.02
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 100654309
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122268238
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122267952
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 122268077
3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124954995
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinolin-2-ylmethanone
CID 122267966
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
CID 122268218

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 122268126) is 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is CCc1cnc(OC2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nc1.
What is the InChIKey of 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is OJJQEUNDXMNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-14-10-21-19(22-11-14)27-15-6-5-9-23(12-15)18(25)13-24-16-7-3-4-8-17(16)28-20(24)26/h3-4,7-8,10-11,15H,2,5-6,9,12-13H2,1H3.
What are the key properties of 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 382.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 122268126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).