[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

C13H12ClN3O2 — CID 110391497

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(-c2ccc(Cl)cc2)o1)N1CCCC1
InChIInChI=1S/C13H12ClN3O2/c14-10-5-3-9(4-6-10)11-15-16-12(19-11)13(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2
InChIKeySHFKCTXPMRTBNR-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.63
Rot. Bonds2

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110391497) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID110391497
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(-c2ccc(Cl)cc2)o1)N1CCCC1
InChIInChI=1S/C13H12ClN3O2/c14-10-5-3-9(4-6-10)11-15-16-12(19-11)13(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2
InChIKeySHFKCTXPMRTBNR-UHFFFAOYSA-N
XLogP2.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (CID 110391497) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1nnc(-c2ccc(Cl)cc2)o1)N1CCCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SHFKCTXPMRTBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-10-5-3-9(4-6-10)11-15-16-12(19-11)13(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 277.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110391497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).