(5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one

C9H12N2O3 — CID 11019781

IUPAC(5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(n2cccc2)C(=O)O1
InChIInChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyRWCYHUWSHCXNRR-QMMMGPOBSA-N
MW196.21 g/mol
LogP0.59
Rot. Bonds3

About (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one

(5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one (PubChem CID 11019781) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
PubChem CID11019781
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(n2cccc2)C(=O)O1
InChIInChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyRWCYHUWSHCXNRR-QMMMGPOBSA-N
XLogP0.59
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one (CID 11019781) is (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one is COC[C@@H]1CN(n2cccc2)C(=O)O1.
What is the InChIKey of (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
The InChIKey is RWCYHUWSHCXNRR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
(5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11019781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).