1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one

C13H16N4O2 — CID 110244926

IUPAC1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc2ncccc2o1
InChIInChI=1S/C13H16N4O2/c18-11-5-2-8-17(11)9-3-7-15-13-16-12-10(19-13)4-1-6-14-12/h1,4,6H,2-3,5,7-9H2,(H,14,15,16)
InChIKeyQUJQIDJWNMUQSJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.65
Rot. Bonds5

About 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one

1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one (PubChem CID 110244926) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one
PubChem CID110244926
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc2ncccc2o1
InChIInChI=1S/C13H16N4O2/c18-11-5-2-8-17(11)9-3-7-15-13-16-12-10(19-13)4-1-6-14-12/h1,4,6H,2-3,5,7-9H2,(H,14,15,16)
InChIKeyQUJQIDJWNMUQSJ-UHFFFAOYSA-N
XLogP1.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117091420
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
1-[3-[[2-(pyrimidin-2-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080695
1-[3-[[3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 10365970
1-[3-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084800
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 53144349
1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one
CID 42384159
1-[3-[(8-anilino-7H-purin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117091724
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 117080691
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373

Frequently Asked Questions

What is the IUPAC name of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one (CID 110244926) is 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1nc2ncccc2o1.
What is the InChIKey of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one?
The InChIKey is QUJQIDJWNMUQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-11-5-2-8-17(11)9-3-7-15-13-16-12-10(19-13)4-1-6-14-12/h1,4,6H,2-3,5,7-9H2,(H,14,15,16).
What are the key properties of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one?
1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 110244926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).