7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H17FN4O4 — CID 91960086

IUPAC7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C12H17FN4O4/c1-20-6-4-14-8(18)2-3-15-11(19)10-9(13)12-17(16-10)5-7-21-12/h2-7H2,1H3,(H,14,18)(H,15,19)
InChIKeyHODXYGUMUULHNO-UHFFFAOYSA-N
MW300.29 g/mol
LogP-0.70
Rot. Bonds7

About 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960086) has the molecular formula C12H17FN4O4 and a molecular weight of 300.29 g/mol. Its IUPAC name is 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960086
Molecular FormulaC12H17FN4O4
Molecular Weight300.29 g/mol
Exact Mass300.12
IUPAC Name7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C12H17FN4O4/c1-20-6-4-14-8(18)2-3-15-11(19)10-9(13)12-17(16-10)5-7-21-12/h2-7H2,1H3,(H,14,18)(H,15,19)
InChIKeyHODXYGUMUULHNO-UHFFFAOYSA-N
XLogP-0.70
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960086) is 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is COCCNC(=O)CCNC(=O)c1nn2c(c1F)OCC2.
What is the InChIKey of 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is HODXYGUMUULHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O4/c1-20-6-4-14-8(18)2-3-15-11(19)10-9(13)12-17(16-10)5-7-21-12/h2-7H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 300.29 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).