(4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide

C16H26N2O4 — CID 50851756

IUPAC(4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NC1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C16H26N2O4/c19-15(17-13-6-8-21-9-7-13)14-11-22-16(20)18(14)10-12-4-2-1-3-5-12/h12-14H,1-11H2,(H,17,19)/t14-/m0/s1
InChIKeyXZHNUPPCBFPAFM-AWEZNQCLSA-N
MW310.39 g/mol
LogP1.68
Rot. Bonds4

About (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851756) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851756
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name(4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NC1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C16H26N2O4/c19-15(17-13-6-8-21-9-7-13)14-11-22-16(20)18(14)10-12-4-2-1-3-5-12/h12-14H,1-11H2,(H,17,19)/t14-/m0/s1
InChIKeyXZHNUPPCBFPAFM-AWEZNQCLSA-N
XLogP1.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956171
8-Methyl-N-(propan-2-YL)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956174
(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 97478080
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide
CID 164640849
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45214983
(3R)-N-(cyclohexylmethyl)-4-(2-methylpropyl)morpholine-3-carboxamide
CID 60053637
N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 164603934
N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide
CID 170758208
tert-butyl N-[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate
CID 170758316
N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 171593899
tert-butyl N-[(2R,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate
CID 175981414

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851756) is (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide is O=C(NC1CCOCC1)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is XZHNUPPCBFPAFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O4/c19-15(17-13-6-8-21-9-7-13)14-11-22-16(20)18(14)10-12-4-2-1-3-5-12/h12-14H,1-11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).