(2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one

C7H13NO3 — CID 45082309

IUPAC(2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)[C@@H]1N[C@H](CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-4(2)6-7(10)11-5(3-9)8-6/h4-6,8-9H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyAQROYTBCLHYINN-WDSKDSINSA-N
MW159.18 g/mol
LogP-0.52
Rot. Bonds2

About (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one

(2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one (PubChem CID 45082309) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one
PubChem CID45082309
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)[C@@H]1N[C@H](CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-4(2)6-7(10)11-5(3-9)8-6/h4-6,8-9H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyAQROYTBCLHYINN-WDSKDSINSA-N
XLogP-0.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 162935703
2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 102271597
(3S,9R,15S,21R,27S,33R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 16667711
(3S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 14147354
(3R,6R,9S,12S,15S,18R,21S,24S,27R,30R,33R,36S)-6,18,30-tris[(2S)-butan-2-yl]-12,24,36-trimethyl-3,9,15,21,27,33-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 169491657
(3R,6S,9S,12R,15R,18S,21S,24R,27R,30S,33S,36R)-6,18,30-trimethyl-12,24,36-triphenyl-3,9,15,21,27,33-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 11804422
(3S,6R,9S,12R,15S,18R)-18-[(2S)-butan-2-yl]-4,10-dimethyl-3,6,9,12,15-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 71598216
(3S,6S)-3-(hydroxymethyl)-6-methyl-1,4-dioxane-2,5-dione
CID 59819049
3,6,9,12,15,18,21,24,27-nonakis(hydroxymethyl)-1,4,7,10,13,16,19,22,25-nonaoxacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
CID 140513854
(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 66645583
N-[(3S,6R,9S,12R,15S,16R)-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-3,6-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]dodecanamide
CID 162814623
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one?
The IUPAC name of (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one (CID 45082309) is (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one.
What is the SMILES notation for (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one?
The canonical SMILES for (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one is CC(C)[C@@H]1N[C@H](CO)OC1=O.
What is the InChIKey of (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one?
The InChIKey is AQROYTBCLHYINN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(2)6-7(10)11-5(3-9)8-6/h4-6,8-9H,3H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one?
(2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one has a molecular weight of 159.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one is sourced from PubChem (CID 45082309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).