1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone

C15H18N4O3 — CID 167912396

IUPAC1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCc1nnc(NC2CCN(C(=O)COc3ccccc3)C2)o1
InChIInChI=1S/C15H18N4O3/c1-11-17-18-15(22-11)16-12-7-8-19(9-12)14(20)10-21-13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,16,18)
InChIKeyPVKGGDHWFSNYLF-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.47
Rot. Bonds5

About 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone

1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 167912396) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID167912396
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCc1nnc(NC2CCN(C(=O)COc3ccccc3)C2)o1
InChIInChI=1S/C15H18N4O3/c1-11-17-18-15(22-11)16-12-7-8-19(9-12)14(20)10-21-13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,16,18)
InChIKeyPVKGGDHWFSNYLF-UHFFFAOYSA-N
XLogP1.47
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
1-(3-anilinopyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 56503572
2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone
CID 125141317
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124846611
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide
CID 100747142
(2S,3R)-3-methyl-N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124861312
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
CID 126426070

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone (CID 167912396) is 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone is Cc1nnc(NC2CCN(C(=O)COc3ccccc3)C2)o1.
What is the InChIKey of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is PVKGGDHWFSNYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-17-18-15(22-11)16-12-7-8-19(9-12)14(20)10-21-13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,16,18).
What are the key properties of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone?
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 302.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 167912396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).