(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate

C20H20N2O5 — CID 46792309

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H20N2O5/c23-18(11-22-19(24)14-8-4-5-9-15(14)20(22)25)26-12-17-21-10-16(27-17)13-6-2-1-3-7-13/h1-3,6-7,10,14-15H,4-5,8-9,11-12H2
InChIKeyMDGNWTUNKBKWOK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.56
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate (PubChem CID 46792309) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
PubChem CID46792309
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H20N2O5/c23-18(11-22-19(24)14-8-4-5-9-15(14)20(22)25)26-12-17-21-10-16(27-17)13-6-2-1-3-7-13/h1-3,6-7,10,14-15H,4-5,8-9,11-12H2
InChIKeyMDGNWTUNKBKWOK-UHFFFAOYSA-N
XLogP2.56
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate 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-Cyclohexyl-5-phenyloxazole
CID 87832
1-(5-Phenyloxazol-2-yl)octadec-9-en-1-one
CID 11154099
1-(5-(2-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110633
2-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzonitrile
CID 16110636
1-(5-(3-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110639
Methyl 4-(2-(7-phenylheptanoyl)oxazol-5-yl)benzoate
CID 16110644
1-(5-(4-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110645
Methyl 2-(2-(7-phenylheptanoyl)oxazol-5-yl)benzoate
CID 16110694
4-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzoic acid
CID 16110704
(5-Phenyl-1,3-oxazol-2-yl)methanol
CID 43558917
(5-Phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
CID 2563593
7-Phenyl-1-(5-phenyloxazol-2-yl)heptan-1-one
CID 11279040

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate (CID 46792309) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is O=C(CN1C(=O)C2CCCCC2C1=O)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The InChIKey is MDGNWTUNKBKWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(11-22-19(24)14-8-4-5-9-15(14)20(22)25)26-12-17-21-10-16(27-17)13-6-2-1-3-7-13/h1-3,6-7,10,14-15H,4-5,8-9,11-12H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate has a molecular weight of 368.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is sourced from PubChem (CID 46792309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).