7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C13H16FN5O2 — CID 91960063

IUPAC7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1nccn1CCCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C13H16FN5O2/c1-9-15-4-6-18(9)5-2-3-16-12(20)11-10(14)13-19(17-11)7-8-21-13/h4,6H,2-3,5,7-8H2,1H3,(H,16,20)
InChIKeyKXVFJQFYHVJNNK-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.74
Rot. Bonds5

About 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960063) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960063
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1nccn1CCCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C13H16FN5O2/c1-9-15-4-6-18(9)5-2-3-16-12(20)11-10(14)13-19(17-11)7-8-21-13/h4,6H,2-3,5,7-8H2,1H3,(H,16,20)
InChIKeyKXVFJQFYHVJNNK-UHFFFAOYSA-N
XLogP0.74
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.74
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
N-[3-(2-ethylimidazol-1-yl)propyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960064
7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960103
(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-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960063) is 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is Cc1nccn1CCCNC(=O)c1nn2c(c1F)OCC2.
What is the InChIKey of 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is KXVFJQFYHVJNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-9-15-4-6-18(9)5-2-3-16-12(20)11-10(14)13-19(17-11)7-8-21-13/h4,6H,2-3,5,7-8H2,1H3,(H,16,20).
What are the key properties of 7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.74, 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-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).