[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate

C22H18N2O3 — CID 100997915

IUPAC[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate
SMILESO=C(OCc1cccc(C2=N[C@H](c3ccccc3)CO2)n1)c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-22(17-10-5-2-6-11-17)27-14-18-12-7-13-19(23-18)21-24-20(15-26-21)16-8-3-1-4-9-16/h1-13,20H,14-15H2/t20-/m0/s1
InChIKeyLRWYZGCDXFJKFL-FQEVSTJZSA-N
MW358.40 g/mol
LogP3.96
Rot. Bonds5

About [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate

[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate (PubChem CID 100997915) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate.

Molecular Properties

Compound Name[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate
PubChem CID100997915
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate
SMILESO=C(OCc1cccc(C2=N[C@H](c3ccccc3)CO2)n1)c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-22(17-10-5-2-6-11-17)27-14-18-12-7-13-19(23-18)21-24-20(15-26-21)16-8-3-1-4-9-16/h1-13,20H,14-15H2/t20-/m0/s1
InChIKeyLRWYZGCDXFJKFL-FQEVSTJZSA-N
XLogP3.96
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate 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

[2-methyl-3-[2-methyl-3-[2-methyl-2-[[2-methyl-3-[2-methyl-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxy-2-[(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxy-2-[(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxymethyl]propanoyl]oxymethyl]propanoyl]oxymethyl]-3-oxo-3-[[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propoxy]-2-[[2-methyl-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxy-2-[(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxymethyl]propanoyl]oxymethyl]-3-oxopropoxy]-3-oxo-2-[(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxymethyl]propyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
CID 10996946
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
CID 10568003
(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole
CID 101355290
CID 72964471
CID 72964471
1,3-dioxol-4-ylmethyl benzoate
CID 175693706
(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
CID 170899160
[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate
CID 101359792
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
benzyl benzoate
CID 2345
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727

Frequently Asked Questions

What is the IUPAC name of [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate?
The IUPAC name of [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate (CID 100997915) is [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate.
What is the SMILES notation for [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate?
The canonical SMILES for [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate is O=C(OCc1cccc(C2=N[C@H](c3ccccc3)CO2)n1)c1ccccc1.
What is the InChIKey of [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate?
The InChIKey is LRWYZGCDXFJKFL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-22(17-10-5-2-6-11-17)27-14-18-12-7-13-19(23-18)21-24-20(15-26-21)16-8-3-1-4-9-16/h1-13,20H,14-15H2/t20-/m0/s1.
What are the key properties of [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate?
[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate has a molecular weight of 358.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate is sourced from PubChem (CID 100997915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).