1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one

C14H19NO2 — CID 110740632

IUPAC1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
SMILESCC1(C)COCN1C(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2)10-17-11-15(14)13(16)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyUQCLRRGVAPQGCF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds3

About 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one

1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one (PubChem CID 110740632) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
PubChem CID110740632
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
SMILESCC1(C)COCN1C(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2)10-17-11-15(14)13(16)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyUQCLRRGVAPQGCF-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 110740675
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
CID 110421813
2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 110740685
methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate
CID 110740604
3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 110304613
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone
CID 110740609
5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11064736
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one (CID 110740632) is 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one is CC1(C)COCN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one?
The InChIKey is UQCLRRGVAPQGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)10-17-11-15(14)13(16)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one?
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 110740632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).