3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde

C21H20FNO4 — CID 174542814

IUPAC3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1OCC(c2ccccc2)N1C(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO4/c22-17-11-9-16(10-12-17)19(25)7-4-8-20(26)23-18(14-27-21(23)13-24)15-5-2-1-3-6-15/h1-3,5-6,9-13,18,21H,4,7-8,14H2
InChIKeyUMNUOUCERHSEPG-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.30
Rot. Bonds7

About 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde

3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174542814) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174542814
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1OCC(c2ccccc2)N1C(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO4/c22-17-11-9-16(10-12-17)19(25)7-4-8-20(26)23-18(14-27-21(23)13-24)15-5-2-1-3-6-15/h1-3,5-6,9-13,18,21H,4,7-8,14H2
InChIKeyUMNUOUCERHSEPG-UHFFFAOYSA-N
XLogP3.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dichloromethane;1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 174975371
1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 141326132
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 46932815
5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one
CID 78036039
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
CID 110421538
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
fluorobenzene;5-(4-fluorophenyl)-5-oxopentanoic acid;oxane-2,6-dione
CID 158005228
methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate
CID 124890114
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione
CID 110298115

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde (CID 174542814) is 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde is O=CC1OCC(c2ccccc2)N1C(=O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is UMNUOUCERHSEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-17-11-9-16(10-12-17)19(25)7-4-8-20(26)23-18(14-27-21(23)13-24)15-5-2-1-3-6-15/h1-3,5-6,9-13,18,21H,4,7-8,14H2.
What are the key properties of 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde?
3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 369.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174542814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).