(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone

C13H13N3O2 — CID 110390874

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCCC1
InChIInChI=1S/C13H13N3O2/c17-13(16-8-4-5-9-16)12-15-14-11(18-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyBOYPIMPQYROEMP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds2

About (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone

(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 110390874) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID110390874
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCCC1
InChIInChI=1S/C13H13N3O2/c17-13(16-8-4-5-9-16)12-15-14-11(18-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyBOYPIMPQYROEMP-UHFFFAOYSA-N
XLogP1.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 110392413
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 2813970
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 46393407
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 167925736
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 50837253
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 146103961
(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110681388

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone (CID 110390874) is (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1nnc(-c2ccccc2)o1)N1CCCC1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is BOYPIMPQYROEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(16-8-4-5-9-16)12-15-14-11(18-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone?
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 243.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110390874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).