3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C20H25N5O3 — CID 166612477

IUPAC3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1-c1nccc(N)n1
InChIInChI=1S/C20H25N5O3/c1-27-17-3-2-14(12-16(17)19-22-7-4-18(21)23-19)13-24-8-5-15(6-9-24)25-10-11-28-20(25)26/h2-4,7,12,15H,5-6,8-11,13H2,1H3,(H2,21,22,23)
InChIKeyCLXNHNILKMBCJJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.15
Rot. Bonds5

About 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 166612477) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID166612477
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1-c1nccc(N)n1
InChIInChI=1S/C20H25N5O3/c1-27-17-3-2-14(12-16(17)19-22-7-4-18(21)23-19)13-24-8-5-15(6-9-24)25-10-11-28-20(25)26/h2-4,7,12,15H,5-6,8-11,13H2,1H3,(H2,21,22,23)
InChIKeyCLXNHNILKMBCJJ-UHFFFAOYSA-N
XLogP2.15
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 166612477) is 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1-c1nccc(N)n1.
What is the InChIKey of 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is CLXNHNILKMBCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-27-17-3-2-14(12-16(17)19-22-7-4-18(21)23-19)13-24-8-5-15(6-9-24)25-10-11-28-20(25)26/h2-4,7,12,15H,5-6,8-11,13H2,1H3,(H2,21,22,23).
What are the key properties of 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 383.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166612477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).