5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione

C16H14N2O3 — CID 3029675

IUPAC5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)N1CCc1ccncc1
InChIInChI=1S/C16H14N2O3/c19-15-14(13-4-2-1-3-5-13)21-16(20)18(15)11-8-12-6-9-17-10-7-12/h1-7,9-10,14H,8,11H2
InChIKeyDXGUSULOBMHKOD-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.34
Rot. Bonds4

About 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione

5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione (PubChem CID 3029675) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
PubChem CID3029675
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)N1CCc1ccncc1
InChIInChI=1S/C16H14N2O3/c19-15-14(13-4-2-1-3-5-13)21-16(20)18(15)11-8-12-6-9-17-10-7-12/h1-7,9-10,14H,8,11H2
InChIKeyDXGUSULOBMHKOD-UHFFFAOYSA-N
XLogP2.34
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Acetic acid phenethylcarbamoyl-pyridin-3-yl-methyl ester
CID 646182
3-Methoxy-1,5,5-trimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]pyrrolidin-2-one
CID 70925751
Benzyl 1-acetyl-2-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 46884613
1-Phenyl-2-(pyrrolidin-1-yl)ethyl pyridine-4-carboxylate--hydrogen chloride (1/2)
CID 60249
(2-Morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate
CID 17474861
Pyridin-4-ylmethyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884834
3-[({1-[(Benzyloxy)acetyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70716611
3-{2-[4-(Benzyloxy)-1-piperidinyl]-2-oxoethyl}pyridine
CID 70721630
3-[({1-[(Benzyloxy)acetyl]-4-piperidinyl}oxy)methyl]pyridine
CID 70753212
phenyl-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419527
2-methoxy-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 2898597
6-(Benzyloxy)-4-[methoxy(phenyl)acetyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one
CID 45159461

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione (CID 3029675) is 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione is O=C1OC(c2ccccc2)C(=O)N1CCc1ccncc1.
What is the InChIKey of 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is DXGUSULOBMHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-14(13-4-2-1-3-5-13)21-16(20)18(15)11-8-12-6-9-17-10-7-12/h1-7,9-10,14H,8,11H2.
What are the key properties of 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).