(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one

C12H12FNO2 — CID 151039333

IUPAC(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1F)N1CCOC1
InChIInChI=1S/C12H12FNO2/c13-11-4-2-1-3-10(11)5-6-12(15)14-7-8-16-9-14/h1-6H,7-9H2/b6-5+
InChIKeyMBSYHDNXPAIAHW-AATRIKPKSA-N
MW221.23 g/mol
LogP1.66
Rot. Bonds2

About (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one

(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one (PubChem CID 151039333) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
PubChem CID151039333
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1F)N1CCOC1
InChIInChI=1S/C12H12FNO2/c13-11-4-2-1-3-10(11)5-6-12(15)14-7-8-16-9-14/h1-6H,7-9H2/b6-5+
InChIKeyMBSYHDNXPAIAHW-AATRIKPKSA-N
XLogP1.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 76918600
(E)-3-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 54878339
(E)-3-(2-fluorophenyl)-1-(1,3-thiazolidin-3-yl)prop-2-en-1-one
CID 122332156
(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513575
(E)-3-(2-fluorophenyl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 125006793
(E)-1-(3-aminoazetidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 121200505
3-(2-iodophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 123233908
1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091913
methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate
CID 78926628
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
1-(3-aminopyrrolidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 126771868
3-(2-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84925595

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one (CID 151039333) is (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one is O=C(/C=C/c1ccccc1F)N1CCOC1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The InChIKey is MBSYHDNXPAIAHW-AATRIKPKSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-11-4-2-1-3-10(11)5-6-12(15)14-7-8-16-9-14/h1-6H,7-9H2/b6-5+.
What are the key properties of (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one has a molecular weight of 221.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 151039333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).