5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one

C14H17NO3 — CID 11064736

IUPAC5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C(=O)CCc2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO3/c1-14(2)10-15(13(17)18-14)12(16)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyLRXHWQSACGSCQH-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.38
Rot. Bonds3

About 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one

5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 11064736) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID11064736
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C(=O)CCc2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO3/c1-14(2)10-15(13(17)18-14)12(16)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyLRXHWQSACGSCQH-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 100950638
5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione
CID 110191669
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 46937357
3-[(3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 24745918
methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
CID 10492694
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
(4S)-4-methyl-3-(3-phenylpropanoyl)-1,3-oxazolidine-2,5-dione
CID 59119731
4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 112534759
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 67737802
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 11064736) is 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one is CC1(C)CN(C(=O)CCc2ccccc2)C(=O)O1.
What is the InChIKey of 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is LRXHWQSACGSCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2)10-15(13(17)18-14)12(16)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11064736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).