3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H12F4N4O2 — CID 51128349

IUPAC3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c(NC(=O)C2CC(c3cccc(F)c3)=NO2)n[nH]c1C(F)(F)F
InChIInChI=1S/C15H12F4N4O2/c1-7-12(15(17,18)19)21-22-13(7)20-14(24)11-6-10(23-25-11)8-3-2-4-9(16)5-8/h2-5,11H,6H2,1H3,(H2,20,21,22,24)
InChIKeyOAKSPJGMRPQUHV-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.01
Rot. Bonds3

About 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51128349) has the molecular formula C15H12F4N4O2 and a molecular weight of 356.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51128349
Molecular FormulaC15H12F4N4O2
Molecular Weight356.28 g/mol
Exact Mass356.09
IUPAC Name3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c(NC(=O)C2CC(c3cccc(F)c3)=NO2)n[nH]c1C(F)(F)F
InChIInChI=1S/C15H12F4N4O2/c1-7-12(15(17,18)19)21-22-13(7)20-14(24)11-6-10(23-25-11)8-3-2-4-9(16)5-8/h2-5,11H,6H2,1H3,(H2,20,21,22,24)
InChIKeyOAKSPJGMRPQUHV-UHFFFAOYSA-N
XLogP3.01
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
(5S)-3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51940815
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427536
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
3-(3-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071660
3-(3-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51132367
3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51128349) is 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1c(NC(=O)C2CC(c3cccc(F)c3)=NO2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OAKSPJGMRPQUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O2/c1-7-12(15(17,18)19)21-22-13(7)20-14(24)11-6-10(23-25-11)8-3-2-4-9(16)5-8/h2-5,11H,6H2,1H3,(H2,20,21,22,24).
What are the key properties of 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 356.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51128349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).