(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

C18H15N3O5 — CID 26968408

IUPAC(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESNC(=O)c1ccc(COC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C18H15N3O5/c19-16(23)13-8-6-12(7-9-13)11-25-15(22)10-21-18(24)26-17(20-21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,19,23)
InChIKeyHTQVURVAXHMYEN-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.35
Rot. Bonds6

About (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 26968408) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID26968408
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESNC(=O)c1ccc(COC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C18H15N3O5/c19-16(23)13-8-6-12(7-9-13)11-25-15(22)10-21-18(24)26-17(20-21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,19,23)
InChIKeyHTQVURVAXHMYEN-UHFFFAOYSA-N
XLogP1.35
TPSA117.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578205
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
[2-(dimethylamino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835595
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577738
[2-(azocan-1-yl)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632865
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835792
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578808
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835589
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632879
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7579776
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835962

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 26968408) is (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is NC(=O)c1ccc(COC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is HTQVURVAXHMYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c19-16(23)13-8-6-12(7-9-13)11-25-15(22)10-21-18(24)26-17(20-21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,19,23).
What are the key properties of (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 353.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 26968408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).