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

C19H18N4O3 — CID 91916586

IUPAC[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-14-9-7-13(8-10-14)17-21-18(26-22-17)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
InChIKeyJWDMJAQAVLYKQW-INIZCTEOSA-N
MW350.38 g/mol
LogP3.12
Rot. Bonds4

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

[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 91916586) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID91916586
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-14-9-7-13(8-10-14)17-21-18(26-22-17)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
InChIKeyJWDMJAQAVLYKQW-INIZCTEOSA-N
XLogP3.12
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 91916586) is [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccn3)n2)cc1.
What is the InChIKey of [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is JWDMJAQAVLYKQW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-14-9-7-13(8-10-14)17-21-18(26-22-17)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-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 350.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91916586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).