3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one

C14H17NO3 — CID 85435435

IUPAC3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)C1OC(=O)C(C)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-9(2)13-15(10(3)14(17)18-13)12(16)11-7-5-4-6-8-11/h4-10,13H,1-3H3
InChIKeyZPFLWOQPRDKRSG-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.06
Rot. Bonds2

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

3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one (PubChem CID 85435435) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
PubChem CID85435435
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)C1OC(=O)C(C)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-9(2)13-15(10(3)14(17)18-13)12(16)11-7-5-4-6-8-11/h4-10,13H,1-3H3
InChIKeyZPFLWOQPRDKRSG-UHFFFAOYSA-N
XLogP2.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-3-benzoyl-2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 7098741
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
CID 15172348
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 13491013
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
propan-2-yl (2S,3R)-1-benzoyl-3-methylaziridine-2-carboxylate
CID 15749604
[(3aS,7aS)-3-benzoyl-2-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl]-phenylmethanone
CID 102506692
3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
CID 569780
(2S)-2-[(2R,3S)-1-benzoyl-3-propan-2-ylaziridin-2-yl]-N-tert-butyl-2-hydroxyacetamide
CID 134836469
(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone
CID 14417729
[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone
CID 699644
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one?
The IUPAC name of 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one (CID 85435435) is 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one?
The canonical SMILES for 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one is CC(C)C1OC(=O)C(C)N1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one?
The InChIKey is ZPFLWOQPRDKRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)13-15(10(3)14(17)18-13)12(16)11-7-5-4-6-8-11/h4-10,13H,1-3H3.
What are the key properties of 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one?
3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one has a molecular weight of 247.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one is sourced from PubChem (CID 85435435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).