(4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C17H29N3O4 — CID 50851782

IUPAC(4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C17H29N3O4/c21-16(18-6-7-19-8-10-23-11-9-19)15-13-24-17(22)20(15)12-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,18,21)/t15-/m0/s1
InChIKeySHSMEWKGNBSQJL-HNNXBMFYSA-N
MW339.44 g/mol
LogP0.84
Rot. Bonds6

About (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851782) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851782
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name(4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C17H29N3O4/c21-16(18-6-7-19-8-10-23-11-9-19)15-13-24-17(22)20(15)12-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,18,21)/t15-/m0/s1
InChIKeySHSMEWKGNBSQJL-HNNXBMFYSA-N
XLogP0.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851782) is (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is O=C(NCCN1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is SHSMEWKGNBSQJL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N3O4/c21-16(18-6-7-19-8-10-23-11-9-19)15-13-24-17(22)20(15)12-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).