2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone

C16H19N3O3 — CID 51137809

IUPAC2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1
InChIInChI=1S/C16H19N3O3/c1-11-3-5-12(6-4-11)15-17-18-16(22-15)13-7-8-19(9-13)14(20)10-21-2/h3-6,13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyDIIMYPPJQYOYFF-ZDUSSCGKSA-N
MW301.35 g/mol
LogP2.01
Rot. Bonds4

About 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 51137809) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID51137809
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1
InChIInChI=1S/C16H19N3O3/c1-11-3-5-12(6-4-11)15-17-18-16(22-15)13-7-8-19(9-13)14(20)10-21-2/h3-6,13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyDIIMYPPJQYOYFF-ZDUSSCGKSA-N
XLogP2.01
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16188925
ethyl N-[3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)propanoyl]-N-methylglycinate
CID 23723750
N-methyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-N-tetrahydropyran-4-yl-propionamide
CID 24791821
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 25163806
4-Methyl-1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine
CID 16187253
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137198
2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137207
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51137416
2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137665
2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137669
2-(3-Fluorobenzoyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912485
2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137220

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (CID 51137809) is 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DIIMYPPJQYOYFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-3-5-12(6-4-11)15-17-18-16(22-15)13-7-8-19(9-13)14(20)10-21-2/h3-6,13H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 51137809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).