(3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide

C9H18N2O3 — CID 118336905

IUPAC(3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide
SMILESCOC1(C(N)=O)C[C@H](CC(C)C)NO1
InChIInChI=1S/C9H18N2O3/c1-6(2)4-7-5-9(13-3,8(10)12)14-11-7/h6-7,11H,4-5H2,1-3H3,(H2,10,12)/t7-,9?/m0/s1
InChIKeySXTUOXBTKCUQDG-JAVCKPHESA-N
MW202.25 g/mol
LogP0.15
Rot. Bonds4

About (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide

(3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide (PubChem CID 118336905) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide
PubChem CID118336905
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide
SMILESCOC1(C(N)=O)C[C@H](CC(C)C)NO1
InChIInChI=1S/C9H18N2O3/c1-6(2)4-7-5-9(13-3,8(10)12)14-11-7/h6-7,11H,4-5H2,1-3H3,(H2,10,12)/t7-,9?/m0/s1
InChIKeySXTUOXBTKCUQDG-JAVCKPHESA-N
XLogP0.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide?
The IUPAC name of (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide (CID 118336905) is (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide is COC1(C(N)=O)C[C@H](CC(C)C)NO1.
What is the InChIKey of (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide?
The InChIKey is SXTUOXBTKCUQDG-JAVCKPHESA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)4-7-5-9(13-3,8(10)12)14-11-7/h6-7,11H,4-5H2,1-3H3,(H2,10,12)/t7-,9?/m0/s1.
What are the key properties of (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide?
(3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide has a molecular weight of 202.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 118336905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).