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

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

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Related Compounds

3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 74247346
7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 170506304
(4S)-N-[(4-aminopyrimidin-2-yl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazepan-4-amine
CID 129335843
3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 172666147
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
5-[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 86829479
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
2-methoxy-5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 84589683
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 68789482
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70765614
1-[[4-methoxy-3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methyl]pyrrolidin-3-ol
CID 170510986

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).