(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate

C20H17NO4 — CID 7901659

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCc1noc(C)c1COC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C20H17NO4/c1-12-17(13(2)25-21-12)11-24-19(22)9-15-10-23-18-8-7-14-5-3-4-6-16(14)20(15)18/h3-8,10H,9,11H2,1-2H3
InChIKeyLRLAXPPMFKZEMV-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.48
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 7901659) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID7901659
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCc1noc(C)c1COC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C20H17NO4/c1-12-17(13(2)25-21-12)11-24-19(22)9-15-10-23-18-8-7-14-5-3-4-6-16(14)20(15)18/h3-8,10H,9,11H2,1-2H3
InChIKeyLRLAXPPMFKZEMV-UHFFFAOYSA-N
XLogP4.48
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 55534378
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7548126
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
(3-oxobenzo[f]chromen-1-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251817
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate
CID 31880676
(4-chloro-2-methylphenyl) 2-benzo[e][1]benzofuran-1-ylacetate
CID 7931004
2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901560
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8023790

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate (CID 7901659) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate is Cc1noc(C)c1COC(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is LRLAXPPMFKZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-17(13(2)25-21-12)11-24-19(22)9-15-10-23-18-8-7-14-5-3-4-6-16(14)20(15)18/h3-8,10H,9,11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 335.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 7901659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).