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

C20H19N3O2 — CID 665852

IUPAC[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-8-10-15(11-9-14)18-21-19(25-22-18)16-6-2-3-7-17(16)20(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyQFBFEMRXCXNYLC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.95
Rot. Bonds3

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

[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 665852) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID665852
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-8-10-15(11-9-14)18-21-19(25-22-18)16-6-2-3-7-17(16)20(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyQFBFEMRXCXNYLC-UHFFFAOYSA-N
XLogP3.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-({4-[5-(4-Butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10045980
1-({4-[5-(4-Cyclopentylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10408874
Merck SIP Agonist
CID 10430549
3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
1-({4-[5-(4-Propylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10317453
1-({4-[5-(4-Hexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10409838
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 665477
4-[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine
CID 2019832
3-(4-(5-(4-Cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 44412882
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 3737087
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 665852) is [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1.
What is the InChIKey of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QFBFEMRXCXNYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-8-10-15(11-9-14)18-21-19(25-22-18)16-6-2-3-7-17(16)20(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 665852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).