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

C18H14N2O5 — CID 7578667

IUPACphenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)c1ccccc1
InChIInChI=1S/C18H14N2O5/c21-15(13-7-3-1-4-8-13)12-24-16(22)11-20-18(23)25-17(19-20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyCHJDUGJQEGNSPN-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.93
Rot. Bonds6

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

phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 7578667) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Namephenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID7578667
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Namephenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)c1ccccc1
InChIInChI=1S/C18H14N2O5/c21-15(13-7-3-1-4-8-13)12-24-16(22)11-20-18(23)25-17(19-20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyCHJDUGJQEGNSPN-UHFFFAOYSA-N
XLogP1.93
TPSA91.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835595
[2-(azocan-1-yl)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632865
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578205
(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 26968408
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7579776
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46608621
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835589
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721692
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577738
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721650
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721677
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578808

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 7578667) is phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is O=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is CHJDUGJQEGNSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c21-15(13-7-3-1-4-8-13)12-24-16(22)11-20-18(23)25-17(19-20)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 338.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 7578667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).