[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone

C13H14N4O2 — CID 154995158

IUPAC[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(C1=NC=C1)CO2)N1CCCC1
InChIInChI=1S/C13H14N4O2/c18-13(16-5-1-2-6-16)9-7-10-12(15-9)17(8-19-10)11-3-4-14-11/h3-4,7,15H,1-2,5-6,8H2
InChIKeyGXMQNLWUXYWDSC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.33
Rot. Bonds1

About [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154995158) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID154995158
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(C1=NC=C1)CO2)N1CCCC1
InChIInChI=1S/C13H14N4O2/c18-13(16-5-1-2-6-16)9-7-10-12(15-9)17(8-19-10)11-3-4-14-11/h3-4,7,15H,1-2,5-6,8H2
InChIKeyGXMQNLWUXYWDSC-UHFFFAOYSA-N
XLogP1.33
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 154995158) is [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2c([nH]1)N(C1=NC=C1)CO2)N1CCCC1.
What is the InChIKey of [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GXMQNLWUXYWDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(16-5-1-2-6-16)9-7-10-12(15-9)17(8-19-10)11-3-4-14-11/h3-4,7,15H,1-2,5-6,8H2.
What are the key properties of [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 258.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154995158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).