2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one

C12H15NO2 — CID 102271597

IUPAC2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)C1NC(c2ccccc2)OC1=O
InChIInChI=1S/C12H15NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-8,10-11,13H,1-2H3
InChIKeyZNFCSUGNNHEXFV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds2

About 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one

2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one (PubChem CID 102271597) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
PubChem CID102271597
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)C1NC(c2ccccc2)OC1=O
InChIInChI=1S/C12H15NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-8,10-11,13H,1-2H3
InChIKeyZNFCSUGNNHEXFV-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
CID 2754378
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one
CID 71045704
(2S,4S)-2-(hydroxymethyl)-4-propan-2-yl-1,3-oxazolidin-5-one
CID 45082309
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83242661
(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 10536862
2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
CID 158495868
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one?
The IUPAC name of 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one (CID 102271597) is 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one?
The canonical SMILES for 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one is CC(C)C1NC(c2ccccc2)OC1=O.
What is the InChIKey of 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one?
The InChIKey is ZNFCSUGNNHEXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-8,10-11,13H,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one?
2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one is sourced from PubChem (CID 102271597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).