2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde

C18H16N2O4 — CID 123880619

IUPAC2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde
SMILESO=CC(=O)c1cncc(Cc2ccc(CN3CCOC3=O)cc2)c1
InChIInChI=1S/C18H16N2O4/c21-12-17(22)16-8-15(9-19-10-16)7-13-1-3-14(4-2-13)11-20-5-6-24-18(20)23/h1-4,8-10,12H,5-7,11H2
InChIKeyYWWSXJYGQHEHHR-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.01
Rot. Bonds6

About 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde

2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde (PubChem CID 123880619) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde
PubChem CID123880619
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde
SMILESO=CC(=O)c1cncc(Cc2ccc(CN3CCOC3=O)cc2)c1
InChIInChI=1S/C18H16N2O4/c21-12-17(22)16-8-15(9-19-10-16)7-13-1-3-14(4-2-13)11-20-5-6-24-18(20)23/h1-4,8-10,12H,5-7,11H2
InChIKeyYWWSXJYGQHEHHR-UHFFFAOYSA-N
XLogP2.01
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde with MolForge

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Related Compounds

1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one
CID 118220636
[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid
CID 131735840
3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 21180826
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 47039701
3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one
CID 43350343
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide
CID 126839263
1-(2,4-dichlorophenyl)-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 78895981
3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 142988742
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86821073
3-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one;(3Z)-hexa-1,3,5-triene;propane
CID 143501460
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686501

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde?
The IUPAC name of 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde (CID 123880619) is 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde?
The canonical SMILES for 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde is O=CC(=O)c1cncc(Cc2ccc(CN3CCOC3=O)cc2)c1.
What is the InChIKey of 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde?
The InChIKey is YWWSXJYGQHEHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-12-17(22)16-8-15(9-19-10-16)7-13-1-3-14(4-2-13)11-20-5-6-24-18(20)23/h1-4,8-10,12H,5-7,11H2.
What are the key properties of 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde?
2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde has a molecular weight of 324.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde is sourced from PubChem (CID 123880619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).