5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C14H22N4O2 — CID 4989848

IUPAC5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(Cc3nccn3C)CC2)C(=O)O1
InChIInChI=1S/C14H22N4O2/c1-11-9-18(14(19)20-11)12-3-6-17(7-4-12)10-13-15-5-8-16(13)2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyQFSHYBBZTJEOHB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.23
Rot. Bonds3

About 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 4989848) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID4989848
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(Cc3nccn3C)CC2)C(=O)O1
InChIInChI=1S/C14H22N4O2/c1-11-9-18(14(19)20-11)12-3-6-17(7-4-12)10-13-15-5-8-16(13)2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyQFSHYBBZTJEOHB-UHFFFAOYSA-N
XLogP1.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-Cyclopentyloxy-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53606966
(4aR,7aS)-4-[(1-methylimidazol-2-yl)methyl]-6-(2-methylpropyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775144
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
(4S)-4-isopropyl-3-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 72841303
(4S)-3-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-4-isopropyl-1,3-oxazolidin-2-one
CID 72905228
(1-methylimidazol-2-yl)methyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 172436919
US10030012, Example 1
CID 78318680
US10030012, Example 13
CID 78318803
N-cyclopentyl-N'-(2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)urea
CID 56742077
(4aR,7aS)-6-cyclohexyl-4-[(1-methylimidazol-2-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775140
propyl 3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinecarboxylate
CID 72858755
ethyl 4-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperazine-1-carboxylate
CID 91768452

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 4989848) is 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC1CN(C2CCN(Cc3nccn3C)CC2)C(=O)O1.
What is the InChIKey of 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QFSHYBBZTJEOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-9-18(14(19)20-11)12-3-6-17(7-4-12)10-13-15-5-8-16(13)2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 278.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4989848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).