3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one

C14H19NO3 — CID 113375704

IUPAC3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCCO2)c1C
InChIInChI=1S/C14H19NO3/c1-11-5-3-6-13(12(11)2)17-10-7-14(16)15-8-4-9-18-15/h3,5-6H,4,7-10H2,1-2H3
InChIKeyLVNYLKDYQSBQTL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds4

About 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one

3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 113375704) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one
PubChem CID113375704
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCCO2)c1C
InChIInChI=1S/C14H19NO3/c1-11-5-3-6-13(12(11)2)17-10-7-14(16)15-8-4-9-18-15/h3,5-6H,4,7-10H2,1-2H3
InChIKeyLVNYLKDYQSBQTL-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,3-dimethylphenoxy)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 86983544
1-(1,4-diazepan-1-yl)-3-(2,3-dimethylphenoxy)propan-1-one;hydrochloride
CID 119418568
3-(2,3-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 55595949
4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
CID 49418283
(2R)-4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
CID 94371112
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3-(2,3-dimethylphenoxy)propan-1-one;hydrochloride
CID 120810524
(3S)-1-[3-(2,3-dimethylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 129368712
3-(2,3-dimethylphenoxy)-1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 124613323
3-(2,3-dimethylphenoxy)-1-[4-(hydroxymethyl)-8-oxa-1-azaspiro[4.5]decan-1-yl]propan-1-one
CID 167863122
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one?
The IUPAC name of 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one (CID 113375704) is 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one is Cc1cccc(OCCC(=O)N2CCCO2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one?
The InChIKey is LVNYLKDYQSBQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-5-3-6-13(12(11)2)17-10-7-14(16)15-8-4-9-18-15/h3,5-6H,4,7-10H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one?
3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 113375704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).