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

C11H11N3O3 — CID 51108219

IUPAC3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
SMILESNC(=O)CCn1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C11H11N3O3/c12-9(15)6-7-14-11(16)17-10(13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)
InChIKeyANBJUSFPOSHLKY-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.38
Rot. Bonds4

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

3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide (PubChem CID 51108219) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
PubChem CID51108219
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
SMILESNC(=O)CCn1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C11H11N3O3/c12-9(15)6-7-14-11(16)17-10(13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)
InChIKeyANBJUSFPOSHLKY-UHFFFAOYSA-N
XLogP0.38
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
CID 134106929
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 26968408
3-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3700631
[2-(dimethylamino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835595
3-[2-(4-methylphenyl)sulfonylethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3746046
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835792
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721630
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632879
[(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 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide (CID 51108219) is 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide is NC(=O)CCn1nc(-c2ccccc2)oc1=O.
What is the InChIKey of 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide?
The InChIKey is ANBJUSFPOSHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-9(15)6-7-14-11(16)17-10(13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15).
What are the key properties of 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide?
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide has a molecular weight of 233.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 51108219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).