(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone

C20H19N3O3 — CID 156608184

IUPAC(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
SMILESCc1nnc(-c2ccc(-c3cccc(C(=O)N4CCC(O)C4)c3)cc2)o1
InChIInChI=1S/C20H19N3O3/c1-13-21-22-19(26-13)15-7-5-14(6-8-15)16-3-2-4-17(11-16)20(25)23-10-9-18(24)12-23/h2-8,11,18,24H,9-10,12H2,1H3
InChIKeyABEDELNAXIQOJE-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds3

About (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone

(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone (PubChem CID 156608184) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
PubChem CID156608184
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
SMILESCc1nnc(-c2ccc(-c3cccc(C(=O)N4CCC(O)C4)c3)cc2)o1
InChIInChI=1S/C20H19N3O3/c1-13-21-22-19(26-13)15-7-5-14(6-8-15)16-3-2-4-17(11-16)20(25)23-10-9-18(24)12-23/h2-8,11,18,24H,9-10,12H2,1H3
InChIKeyABEDELNAXIQOJE-UHFFFAOYSA-N
XLogP2.92
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 154849837
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
CID 122565117
[3-[6-(dimethylamino)pyrimidin-4-yl]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 119063208
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
[3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 142302216
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
CID 118770031

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone (CID 156608184) is (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone is Cc1nnc(-c2ccc(-c3cccc(C(=O)N4CCC(O)C4)c3)cc2)o1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone?
The InChIKey is ABEDELNAXIQOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-21-22-19(26-13)15-7-5-14(6-8-15)16-3-2-4-17(11-16)20(25)23-10-9-18(24)12-23/h2-8,11,18,24H,9-10,12H2,1H3.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone?
(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone has a molecular weight of 349.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone is sourced from PubChem (CID 156608184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).