1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one

C14H18FNO2 — CID 110740675

IUPAC1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one
SMILESCC1(C)COCN1C(=O)CCc1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-14(2)9-18-10-16(14)13(17)8-7-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3
InChIKeyCSZLVNRQCZTGSU-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.35
Rot. Bonds3

About 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one

1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one (PubChem CID 110740675) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one
PubChem CID110740675
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one
SMILESCC1(C)COCN1C(=O)CCc1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-14(2)9-18-10-16(14)13(17)8-7-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3
InChIKeyCSZLVNRQCZTGSU-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 110740685
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
CID 110421813
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
3-(2-fluorophenyl)propanoic acid
CID 2063866
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269480
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 110799513

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one (CID 110740675) is 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one is CC1(C)COCN1C(=O)CCc1ccccc1F.
What is the InChIKey of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one?
The InChIKey is CSZLVNRQCZTGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2)9-18-10-16(14)13(17)8-7-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one?
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.35, 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-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 110740675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).