(2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C19H18N4O3 — CID 70786167

IUPAC(2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18N4O3/c1-25-17-14(9-5-11-20-17)19(24)23-12-6-10-15(23)18-21-16(22-26-18)13-7-3-2-4-8-13/h2-5,7-9,11,15H,6,10,12H2,1H3
InChIKeyLSPGJKKBZAVPLB-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.12
Rot. Bonds4

About (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 70786167) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID70786167
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name(2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18N4O3/c1-25-17-14(9-5-11-20-17)19(24)23-12-6-10-15(23)18-21-16(22-26-18)13-7-3-2-4-8-13/h2-5,7-9,11,15H,6,10,12H2,1H3
InChIKeyLSPGJKKBZAVPLB-UHFFFAOYSA-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 (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 70786167) is (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is COc1ncccc1C(=O)N1CCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LSPGJKKBZAVPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-17-14(9-5-11-20-17)19(24)23-12-6-10-15(23)18-21-16(22-26-18)13-7-3-2-4-8-13/h2-5,7-9,11,15H,6,10,12H2,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone 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 (2-methoxy-3-pyridinyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70786167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).