dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C19H15NO4S — CID 55536611

IUPACdibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H15NO4S/c1-12-11-25-19(22)20(12)9-8-18(21)23-13-6-7-17-15(10-13)14-4-2-3-5-16(14)24-17/h2-7,10-11H,8-9H2,1H3
InChIKeyANTVYVFMNVYJFS-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.11
Rot. Bonds4

About dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 55536611) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID55536611
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Namedibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H15NO4S/c1-12-11-25-19(22)20(12)9-8-18(21)23-13-6-7-17-15(10-13)14-4-2-3-5-16(14)24-17/h2-7,10-11H,8-9H2,1H3
InChIKeyANTVYVFMNVYJFS-UHFFFAOYSA-N
XLogP4.11
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 87014045
dibenzofuran-2-yl 4-phenylsulfanylbutanoate
CID 5205509
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 4-(1,2,4-triazol-1-yl)butanoate
CID 56805508
dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
CID 3465330
dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate
CID 55574924
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
3-(4-chlorophenoxy)propyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55568503
dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 31304362

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 55536611) is dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is ANTVYVFMNVYJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-12-11-25-19(22)20(12)9-8-18(21)23-13-6-7-17-15(10-13)14-4-2-3-5-16(14)24-17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 353.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 55536611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).