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

C12H14FN5O2 — CID 91960103

IUPAC7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nn2c(c1F)OCC2
InChIInChI=1S/C12H14FN5O2/c13-9-10(16-18-6-7-20-12(9)18)11(19)15-2-1-4-17-5-3-14-8-17/h3,5,8H,1-2,4,6-7H2,(H,15,19)
InChIKeyHNIVFADHERMCBH-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.43
Rot. Bonds5

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

7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960103) has the molecular formula C12H14FN5O2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960103
Molecular FormulaC12H14FN5O2
Molecular Weight279.27 g/mol
Exact Mass279.11
IUPAC Name7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nn2c(c1F)OCC2
InChIInChI=1S/C12H14FN5O2/c13-9-10(16-18-6-7-20-12(9)18)11(19)15-2-1-4-17-5-3-14-8-17/h3,5,8H,1-2,4,6-7H2,(H,15,19)
InChIKeyHNIVFADHERMCBH-UHFFFAOYSA-N
XLogP0.43
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(1H-imidazol-1-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789303
7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960063
N-[3-(2-ethylimidazol-1-yl)propyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960064
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91960124
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 132294451
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 137863652
N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167745050
N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789273
N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959313
N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959316
3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959426
N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959428

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960103) is 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NCCCn1ccnc1)c1nn2c(c1F)OCC2.
What is the InChIKey of 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is HNIVFADHERMCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c13-9-10(16-18-6-7-20-12(9)18)11(19)15-2-1-4-17-5-3-14-8-17/h3,5,8H,1-2,4,6-7H2,(H,15,19).
What are the key properties of 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 279.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).