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

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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).