(5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one

C10H17NO3S — CID 115056623

IUPAC(5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1CC1CCSCC1
InChIInChI=1S/C10H17NO3S/c12-7-9-6-11(10(13)14-9)5-8-1-3-15-4-2-8/h8-9,12H,1-7H2/t9-/m1/s1
InChIKeyVUWHKPIPJDAUGQ-SECBINFHSA-N
MW231.32 g/mol
LogP0.94
Rot. Bonds3

About (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one

(5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 115056623) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID115056623
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1CC1CCSCC1
InChIInChI=1S/C10H17NO3S/c12-7-9-6-11(10(13)14-9)5-8-1-3-15-4-2-8/h8-9,12H,1-7H2/t9-/m1/s1
InChIKeyVUWHKPIPJDAUGQ-SECBINFHSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
CID 18404219
(5R)-3-[(1-ethylpyrrolidin-2-yl)methyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115056709
(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056615
(5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 143282814
5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one
CID 143157988
(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056620
4-(thian-4-ylmethyl)-1,4-diazepan-5-one
CID 115100428
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
4-(hydroxymethyl)-3-(thiolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102359
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056583

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one (CID 115056623) is (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1CC1CCSCC1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is VUWHKPIPJDAUGQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-7-9-6-11(10(13)14-9)5-8-1-3-15-4-2-8/h8-9,12H,1-7H2/t9-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 231.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).