[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C19H18N4O2 — CID 91916561

IUPAC[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-7-9-14(10-8-13)17-21-18(25-22-17)16-6-4-12-23(16)19(24)15-5-2-3-11-20-15/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1
InChIKeyMTTKTNIKAMWSHO-INIZCTEOSA-N
MW334.38 g/mol
LogP3.42
Rot. Bonds3

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

[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 91916561) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID91916561
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-7-9-14(10-8-13)17-21-18(25-22-17)16-6-4-12-23(16)19(24)15-5-2-3-11-20-15/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1
InChIKeyMTTKTNIKAMWSHO-INIZCTEOSA-N
XLogP3.42
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 91916561) is [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccn3)n2)cc1.
What is the InChIKey of [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MTTKTNIKAMWSHO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-7-9-14(10-8-13)17-21-18(25-22-17)16-6-4-12-23(16)19(24)15-5-2-3-11-20-15/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91916561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).