(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C14H20N4O4 — CID 50851243

IUPAC(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCn1ccnc1CN1C(=O)OC[C@H]1C(=O)NCC1CCCO1
InChIInChI=1S/C14H20N4O4/c1-17-5-4-15-12(17)8-18-11(9-22-14(18)20)13(19)16-7-10-3-2-6-21-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyHDGBZBPIXDBFFN-DTIOYNMSSA-N
MW308.34 g/mol
LogP0.04
Rot. Bonds5

About (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851243) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851243
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCn1ccnc1CN1C(=O)OC[C@H]1C(=O)NCC1CCCO1
InChIInChI=1S/C14H20N4O4/c1-17-5-4-15-12(17)8-18-11(9-22-14(18)20)13(19)16-7-10-3-2-6-21-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyHDGBZBPIXDBFFN-DTIOYNMSSA-N
XLogP0.04
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851243) is (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is Cn1ccnc1CN1C(=O)OC[C@H]1C(=O)NCC1CCCO1.
What is the InChIKey of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is HDGBZBPIXDBFFN-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-17-5-4-15-12(17)8-18-11(9-22-14(18)20)13(19)16-7-10-3-2-6-21-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,16,19)/t10?,11-/m0/s1.
What are the key properties of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).