1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone

C11H16N4O2 — CID 166271466

IUPAC1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
SMILESCC(C)c1noc(NCC(=O)N2CC=CC2)n1
InChIInChI=1S/C11H16N4O2/c1-8(2)10-13-11(17-14-10)12-7-9(16)15-5-3-4-6-15/h3-4,8H,5-7H2,1-2H3,(H,12,13,14)
InChIKeyFSDCQEDCFNJVIV-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.00
Rot. Bonds4

About 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone

1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone (PubChem CID 166271466) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
PubChem CID166271466
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
SMILESCC(C)c1noc(NCC(=O)N2CC=CC2)n1
InChIInChI=1S/C11H16N4O2/c1-8(2)10-13-11(17-14-10)12-7-9(16)15-5-3-4-6-15/h3-4,8H,5-7H2,1-2H3,(H,12,13,14)
InChIKeyFSDCQEDCFNJVIV-UHFFFAOYSA-N
XLogP1.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-N-propylacetamide
CID 133383063
N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827200
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708
2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 133496790
2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
CID 83828774
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
CID 122049666
1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 133351555
N-tert-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098775
2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 167937464
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone (CID 166271466) is 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone is CC(C)c1noc(NCC(=O)N2CC=CC2)n1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
The InChIKey is FSDCQEDCFNJVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(2)10-13-11(17-14-10)12-7-9(16)15-5-3-4-6-15/h3-4,8H,5-7H2,1-2H3,(H,12,13,14).
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone has a molecular weight of 236.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone is sourced from PubChem (CID 166271466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).