3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

C18H22N4O4S — CID 5006729

IUPAC3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCC(N3CC(c4ccccc4)OC3=O)CC2)c1
InChIInChI=1S/C18H22N4O4S/c1-20-12-17(19-13-20)27(24,25)21-9-7-15(8-10-21)22-11-16(26-18(22)23)14-5-3-2-4-6-14/h2-6,12-13,15-16H,7-11H2,1H3
InChIKeyHRJHGTCXFDWPSF-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.77
Rot. Bonds4

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

3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 5006729) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID5006729
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCC(N3CC(c4ccccc4)OC3=O)CC2)c1
InChIInChI=1S/C18H22N4O4S/c1-20-12-17(19-13-20)27(24,25)21-9-7-15(8-10-21)22-11-16(26-18(22)23)14-5-3-2-4-6-14/h2-6,12-13,15-16H,7-11H2,1H3
InChIKeyHRJHGTCXFDWPSF-UHFFFAOYSA-N
XLogP1.77
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US9656955, Example 699
CID 90405448
US9656955, Example 712
CID 90406799
US9656955, Example 731
CID 90406821
US9656955, Example 697
CID 137796633
4-[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 97391957
4-[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 97391962
4-[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 97470130
4-[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]sulfonyl-1-methylimidazole;2,2,2-trifluoroacetic acid
CID 127021403
O-[(S)-[(4S)-2-oxo-3-(trifluoromethylsulfonyl)-1,3-oxazolidin-4-yl]-[1-(phenylmethoxymethyl)imidazol-2-yl]methyl] N,N-dimethylcarbamothioate
CID 89088897
5-butyl-3-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 90404621
4-[(3S,4R)-3-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]pyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 90405046
4-[3-(4-Fluorophenyl)-4-[(3-fluorophenyl)methoxy]pyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 90405048

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (CID 5006729) is 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is Cn1cnc(S(=O)(=O)N2CCC(N3CC(c4ccccc4)OC3=O)CC2)c1.
What is the InChIKey of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HRJHGTCXFDWPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-20-12-17(19-13-20)27(24,25)21-9-7-15(8-10-21)22-11-16(26-18(22)23)14-5-3-2-4-6-14/h2-6,12-13,15-16H,7-11H2,1H3.
What are the key properties of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 390.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 5006729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).