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

C19H16ClN3O2 — CID 1250965

IUPAC[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCC1
InChIInChI=1S/C19H16ClN3O2/c20-14-9-7-13(8-10-14)17-21-18(25-22-17)15-5-1-2-6-16(15)19(24)23-11-3-4-12-23/h1-2,5-10H,3-4,11-12H2
InChIKeyKFVQZRVBGTXQFL-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.29
Rot. Bonds3

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

[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 1250965) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID1250965
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCC1
InChIInChI=1S/C19H16ClN3O2/c20-14-9-7-13(8-10-14)17-21-18(25-22-17)15-5-1-2-6-16(15)19(24)23-11-3-4-12-23/h1-2,5-10H,3-4,11-12H2
InChIKeyKFVQZRVBGTXQFL-UHFFFAOYSA-N
XLogP4.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 1250965) is [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCC1.
What is the InChIKey of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KFVQZRVBGTXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-9-7-13(8-10-14)17-21-18(25-22-17)15-5-1-2-6-16(15)19(24)23-11-3-4-12-23/h1-2,5-10H,3-4,11-12H2.
What are the key properties of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 353.81 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1250965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).