(5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione

C16H19BrN2O5 — CID 153294898

IUPAC(5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESC[C@@H]1OC(=O)N(C2CCC(Oc3cc(=O)n(C)cc3Br)CC2)C1=O
InChIInChI=1S/C16H19BrN2O5/c1-9-15(21)19(16(22)23-9)10-3-5-11(6-4-10)24-13-7-14(20)18(2)8-12(13)17/h7-11H,3-6H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyJWZNEJIJMPOJIR-WHXUTIOJSA-N
MW399.24 g/mol
LogP2.21
Rot. Bonds3

About (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione

(5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 153294898) has the molecular formula C16H19BrN2O5 and a molecular weight of 399.24 g/mol. Its IUPAC name is (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID153294898
Molecular FormulaC16H19BrN2O5
Molecular Weight399.24 g/mol
Exact Mass398.05
IUPAC Name(5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESC[C@@H]1OC(=O)N(C2CCC(Oc3cc(=O)n(C)cc3Br)CC2)C1=O
InChIInChI=1S/C16H19BrN2O5/c1-9-15(21)19(16(22)23-9)10-3-5-11(6-4-10)24-13-7-14(20)18(2)8-12(13)17/h7-11H,3-6H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyJWZNEJIJMPOJIR-WHXUTIOJSA-N
XLogP2.21
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide
CID 150502899
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide
CID 153294959
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride
CID 153294813
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 153294882
3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 153294975
4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355380
2-[4-(7-bromoquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione
CID 90411339
4-bromo-5-fluoro-1-methylpyridin-2-one
CID 59635671
4-bromo-5-chloro-1-methylpyridin-2-one
CID 105479911
5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine
CID 166607102
3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one
CID 167778860
4-bromo-1-methyl-5-propan-2-ylpyridin-2-one
CID 177314386

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 153294898) is (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione is C[C@@H]1OC(=O)N(C2CCC(Oc3cc(=O)n(C)cc3Br)CC2)C1=O.
What is the InChIKey of (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is JWZNEJIJMPOJIR-WHXUTIOJSA-N. The full InChI is InChI=1S/C16H19BrN2O5/c1-9-15(21)19(16(22)23-9)10-3-5-11(6-4-10)24-13-7-14(20)18(2)8-12(13)17/h7-11H,3-6H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione?
(5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 399.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 153294898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).