(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

C20H17N3O5S — CID 27090419

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OCc2coc(-c3cccs3)n2)c1=O
InChIInChI=1S/C20H17N3O5S/c1-2-22-19(25)14-6-3-4-7-15(14)23(20(22)26)10-17(24)27-11-13-12-28-18(21-13)16-8-5-9-29-16/h3-9,12H,2,10-11H2,1H3
InChIKeyKUAGNKQPTRESBZ-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.64
Rot. Bonds6

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 27090419) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
PubChem CID27090419
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OCc2coc(-c3cccs3)n2)c1=O
InChIInChI=1S/C20H17N3O5S/c1-2-22-19(25)14-6-3-4-7-15(14)23(20(22)26)10-17(24)27-11-13-12-28-18(21-13)16-8-5-9-29-16/h3-9,12H,2,10-11H2,1H3
InChIKeyKUAGNKQPTRESBZ-UHFFFAOYSA-N
XLogP2.64
TPSA96.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate with MolForge

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-naphthalen-1-ylacetate
CID 7782747
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]acetate
CID 14458954
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27547861
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093904
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 7372530
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
CID 7683796
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate
CID 9327999
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 30908157
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate
CID 7805849

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (CID 27090419) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is CCn1c(=O)c2ccccc2n(CC(=O)OCc2coc(-c3cccs3)n2)c1=O.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is KUAGNKQPTRESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-2-22-19(25)14-6-3-4-7-15(14)23(20(22)26)10-17(24)27-11-13-12-28-18(21-13)16-8-5-9-29-16/h3-9,12H,2,10-11H2,1H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 411.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 27090419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).