(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

C16H22N2O2 — CID 143706107

IUPAC(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESNCC1CCC(N2C(=O)OC[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c17-10-12-6-8-14(9-7-12)18-15(11-20-16(18)19)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11,17H2/t12?,14?,15-/m1/s1
InChIKeyWMFBFQYUBWUMSQ-PESDSKBTSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds3

About (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 143706107) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID143706107
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESNCC1CCC(N2C(=O)OC[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c17-10-12-6-8-14(9-7-12)18-15(11-20-16(18)19)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11,17H2/t12?,14?,15-/m1/s1
InChIKeyWMFBFQYUBWUMSQ-PESDSKBTSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-2-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 74228595
(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251083
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842799
(5S,10bR)-10-hydroxy-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 102344135
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 3486012
(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
CID 101130998
3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 66933021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioamide
CID 3687517
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3844213
dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3869172

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 143706107) is (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is NCC1CCC(N2C(=O)OC[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WMFBFQYUBWUMSQ-PESDSKBTSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-10-12-6-8-14(9-7-12)18-15(11-20-16(18)19)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11,17H2/t12?,14?,15-/m1/s1.
What are the key properties of (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143706107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).