(4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one

C6H11NO3 — CID 10486980

IUPAC(4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N(C)[C@H]1CO
InChIInChI=1S/C6H11NO3/c1-4-5(3-8)7(2)6(9)10-4/h4-5,8H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyCHZBLQZDFIBPDN-UHNVWZDZSA-N
MW145.16 g/mol
LogP-0.18
Rot. Bonds1

About (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one

(4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 10486980) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID10486980
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N(C)[C@H]1CO
InChIInChI=1S/C6H11NO3/c1-4-5(3-8)7(2)6(9)10-4/h4-5,8H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyCHZBLQZDFIBPDN-UHNVWZDZSA-N
XLogP-0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one (CID 10486980) is (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one is C[C@H]1OC(=O)N(C)[C@H]1CO.
What is the InChIKey of (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is CHZBLQZDFIBPDN-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-5(3-8)7(2)6(9)10-4/h4-5,8H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
(4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(hydroxymethyl)-3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10486980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).