(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide

C17H22N2O5 — CID 50851931

IUPAC(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1cccc(CN2C(=O)OC[C@H]2C(=O)NC2CCOCC2)c1
InChIInChI=1S/C17H22N2O5/c1-22-14-4-2-3-12(9-14)10-19-15(11-24-17(19)21)16(20)18-13-5-7-23-8-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyFFPAXPFCASLSIQ-HNNXBMFYSA-N
MW334.37 g/mol
LogP1.31
Rot. Bonds5

About (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851931) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851931
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1cccc(CN2C(=O)OC[C@H]2C(=O)NC2CCOCC2)c1
InChIInChI=1S/C17H22N2O5/c1-22-14-4-2-3-12(9-14)10-19-15(11-24-17(19)21)16(20)18-13-5-7-23-8-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyFFPAXPFCASLSIQ-HNNXBMFYSA-N
XLogP1.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(4S)-3-[(3-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851942
methyl 4-[[(4S)-4-[(3-methoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851178
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one
CID 101347940
N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585145
4-[[(4S)-4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851613
(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851650
1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide
CID 154794249
methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851275

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851931) is (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide is COc1cccc(CN2C(=O)OC[C@H]2C(=O)NC2CCOCC2)c1.
What is the InChIKey of (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is FFPAXPFCASLSIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-22-14-4-2-3-12(9-14)10-19-15(11-24-17(19)21)16(20)18-13-5-7-23-8-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).