2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one

C19H22N2O2 — CID 135989507

IUPAC2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1N/C(=N\C23CC4CC(CC(C4)C2)C3)OC1c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-17-16(15-4-2-1-3-5-15)23-18(20-17)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,16H,6-11H2,(H,20,21,22)
InChIKeyFDDFTTXYTHKLRY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds2

About 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one

2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one (PubChem CID 135989507) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
PubChem CID135989507
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1N/C(=N\C23CC4CC(CC(C4)C2)C3)OC1c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-17-16(15-4-2-1-3-5-15)23-18(20-17)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,16H,6-11H2,(H,20,21,22)
InChIKeyFDDFTTXYTHKLRY-UHFFFAOYSA-N
XLogP3.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one
CID 135564991
2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989729
(5R)-5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
CID 135682612
(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 136842921
2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 135989704
(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one
CID 71425586
2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione
CID 143765053
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one
CID 69261563
6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one
CID 82232598
(2R)-6-nitro-2-phenyl-4H-1,4-benzoxazin-3-one
CID 52515478

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one?
The IUPAC name of 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one (CID 135989507) is 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one?
The canonical SMILES for 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one is O=C1N/C(=N\C23CC4CC(CC(C4)C2)C3)OC1c1ccccc1.
What is the InChIKey of 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one?
The InChIKey is FDDFTTXYTHKLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-17-16(15-4-2-1-3-5-15)23-18(20-17)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,16H,6-11H2,(H,20,21,22).
What are the key properties of 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one?
2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one has a molecular weight of 310.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 135989507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).