N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen

C9H20N2O2 — CID 166529374

IUPACN-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCN1C[C@H](NC(=O)C(C)C)CO1.[H][H]
InChIInChI=1S/C9H18N2O2.H2/c1-4-11-5-8(6-13-11)10-9(12)7(2)3;/h7-8H,4-6H2,1-3H3,(H,10,12);1H/t8-;/m0./s1
InChIKeyGPHGGNVLBLWRPI-QRPNPIFTSA-N
MW188.27 g/mol
LogP0.64
Rot. Bonds3

About N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen

N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 166529374) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID166529374
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCN1C[C@H](NC(=O)C(C)C)CO1.[H][H]
InChIInChI=1S/C9H18N2O2.H2/c1-4-11-5-8(6-13-11)10-9(12)7(2)3;/h7-8H,4-6H2,1-3H3,(H,10,12);1H/t8-;/m0./s1
InChIKeyGPHGGNVLBLWRPI-QRPNPIFTSA-N
XLogP0.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen (CID 166529374) is N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen is CCN1C[C@H](NC(=O)C(C)C)CO1.[H][H].
What is the InChIKey of N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is GPHGGNVLBLWRPI-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18N2O2.H2/c1-4-11-5-8(6-13-11)10-9(12)7(2)3;/h7-8H,4-6H2,1-3H3,(H,10,12);1H/t8-;/m0./s1.
What are the key properties of N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen?
N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 188.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 166529374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).