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

C18H31N3O4 — CID 50851783

IUPAC(4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C18H31N3O4/c22-17(19-7-4-8-20-9-11-24-12-10-20)16-14-25-18(23)21(16)13-15-5-2-1-3-6-15/h15-16H,1-14H2,(H,19,22)/t16-/m0/s1
InChIKeyTXJASWJDWIDOHW-INIZCTEOSA-N
MW353.46 g/mol
LogP1.23
Rot. Bonds7

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

(4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851783) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851783
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name(4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C18H31N3O4/c22-17(19-7-4-8-20-9-11-24-12-10-20)16-14-25-18(23)21(16)13-15-5-2-1-3-6-15/h15-16H,1-14H2,(H,19,22)/t16-/m0/s1
InChIKeyTXJASWJDWIDOHW-INIZCTEOSA-N
XLogP1.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-(2-morpholin-4-ylethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851360
(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851166
methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851333
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
2-amino-6-methyl-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 62781177
N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119827240
1-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955471
(2R)-N-(4-morpholin-4-ylbutyl)piperidine-2-carboxamide
CID 119852461
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-oxo-3-(2-piperidin-1-ylethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102549

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851783) is (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is O=C(NCCCN1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is TXJASWJDWIDOHW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N3O4/c22-17(19-7-4-8-20-9-11-24-12-10-20)16-14-25-18(23)21(16)13-15-5-2-1-3-6-15/h15-16H,1-14H2,(H,19,22)/t16-/m0/s1.
What are the key properties of (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).