2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide

C7H8F3N3O3 — CID 103755765

IUPAC2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)4(14)2-11-5(15)3-1-12-6(16)13-3/h1,4,14H,2H2,(H,11,15)(H2,12,13,16)
InChIKeyQUHHQKPPAAPUET-UHFFFAOYSA-N
MW239.15 g/mol
LogP-0.64
Rot. Bonds3

About 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide

2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide (PubChem CID 103755765) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide
PubChem CID103755765
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)4(14)2-11-5(15)3-1-12-6(16)13-3/h1,4,14H,2H2,(H,11,15)(H2,12,13,16)
InChIKeyQUHHQKPPAAPUET-UHFFFAOYSA-N
XLogP-0.64
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxypropyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 16474434
2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726405
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 103769630
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 103770241
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-dihydroimidazole-4-carboxamide
CID 103915360
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104858206
2,4-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-6-carboxamide
CID 105648548
N-(3,3-difluoro-2-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 105649048
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 107482987
5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373410
5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373413
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43392539

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide (CID 103755765) is 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide is O=C(NCC(O)C(F)(F)F)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is QUHHQKPPAAPUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3/c8-7(9,10)4(14)2-11-5(15)3-1-12-6(16)13-3/h1,4,14H,2H2,(H,11,15)(H2,12,13,16).
What are the key properties of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 239.15 g/mol, XLogP of -0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 103755765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).