5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one

C21H32N2O2 — CID 18716163

IUPAC5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CC(CN)OC2=O)cc(C)c1C1CC(C)CC(C)C1C
InChIInChI=1S/C21H32N2O2/c1-12-6-13(2)16(5)19(7-12)20-14(3)8-17(9-15(20)4)23-11-18(10-22)25-21(23)24/h8-9,12-13,16,18-19H,6-7,10-11,22H2,1-5H3
InChIKeyGCWJGXQXGQHGLL-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.37
Rot. Bonds3

About 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 18716163) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID18716163
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CC(CN)OC2=O)cc(C)c1C1CC(C)CC(C)C1C
InChIInChI=1S/C21H32N2O2/c1-12-6-13(2)16(5)19(7-12)20-14(3)8-17(9-15(20)4)23-11-18(10-22)25-21(23)24/h8-9,12-13,16,18-19H,6-7,10-11,22H2,1-5H3
InChIKeyGCWJGXQXGQHGLL-UHFFFAOYSA-N
XLogP4.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[(1R,5S)-6-methyl-7-oxo-3-azabicyclo[3.1.1]heptan-3-yl]phenyl]-1,3-oxazolidin-2-one
CID 11002118
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
CID 68916606
4-[3-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-5-fluorophenyl]morpholin-3-one
CID 141387165
5-(aminomethyl)-3-[4-[1-(benzylperoxymethyl)-3-methylazetidin-3-yl]-3,5-dimethylphenyl]-1,3-oxazolidin-2-one
CID 18684866
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one (CID 18716163) is 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one is Cc1cc(N2CC(CN)OC2=O)cc(C)c1C1CC(C)CC(C)C1C.
What is the InChIKey of 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is GCWJGXQXGQHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-12-6-13(2)16(5)19(7-12)20-14(3)8-17(9-15(20)4)23-11-18(10-22)25-21(23)24/h8-9,12-13,16,18-19H,6-7,10-11,22H2,1-5H3.
What are the key properties of 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 344.50 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[3,5-dimethyl-4-(2,3,5-trimethylcyclohexyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18716163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).