[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C19H19N3O3S — CID 51947978

IUPAC[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)no1
InChIInChI=1S/C19H19N3O3S/c1-13-20-18(21-25-13)11-24-16-6-4-14(5-7-16)19(23)22-9-2-3-17(22)15-8-10-26-12-15/h4-8,10,12,17H,2-3,9,11H2,1H3/t17-/m0/s1
InChIKeyQAUHBUGRFMDLIX-KRWDZBQOSA-N
MW369.45 g/mol
LogP4.00
Rot. Bonds5

About [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51947978) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51947978
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)no1
InChIInChI=1S/C19H19N3O3S/c1-13-20-18(21-25-13)11-24-16-6-4-14(5-7-16)19(23)22-9-2-3-17(22)15-8-10-26-12-15/h4-8,10,12,17H,2-3,9,11H2,1H3/t17-/m0/s1
InChIKeyQAUHBUGRFMDLIX-KRWDZBQOSA-N
XLogP4.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55500488
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 29365042
(2,4-dimethylpiperazin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 71877224
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 47036034
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42896770
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 55495671
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 41135388
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55494322

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51947978) is [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is Cc1nc(COc2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)no1.
What is the InChIKey of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is QAUHBUGRFMDLIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-20-18(21-25-13)11-24-16-6-4-14(5-7-16)19(23)22-9-2-3-17(22)15-8-10-26-12-15/h4-8,10,12,17H,2-3,9,11H2,1H3/t17-/m0/s1.
What are the key properties of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51947978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).