(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

C20H22N4O4 — CID 16670370

IUPAC(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)o1
InChIInChI=1S/C20H22N4O4/c1-3-26-18-5-4-16(27-18)20(25)24-8-6-14(7-9-24)19-15(11-21-12-22-19)17-10-13(2)23-28-17/h4-5,10-12,14H,3,6-9H2,1-2H3
InChIKeyVERBTOACOHEELC-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.45
Rot. Bonds5

About (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 16670370) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID16670370
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)o1
InChIInChI=1S/C20H22N4O4/c1-3-26-18-5-4-16(27-18)20(25)24-8-6-14(7-9-24)19-15(11-21-12-22-19)17-10-13(2)23-28-17/h4-5,10-12,14H,3,6-9H2,1-2H3
InChIKeyVERBTOACOHEELC-UHFFFAOYSA-N
XLogP3.45
TPSA94.49 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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 16670370) is (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)o1.
What is the InChIKey of (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is VERBTOACOHEELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-26-18-5-4-16(27-18)20(25)24-8-6-14(7-9-24)19-15(11-21-12-22-19)17-10-13(2)23-28-17/h4-5,10-12,14H,3,6-9H2,1-2H3.
What are the key properties of (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 382.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 16670370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).