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

C21H16F4N4O2 — CID 19493563

IUPAC3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C21H16F4N4O2/c22-16-6-4-14(5-7-16)17-11-18(31-28-17)20(30)26-19-8-9-29(27-19)12-13-2-1-3-15(10-13)21(23,24)25/h1-10,18H,11-12H2,(H,26,27,30)
InChIKeyVUURLGHVSXIFGV-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.22
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493563) has the molecular formula C21H16F4N4O2 and a molecular weight of 432.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493563
Molecular FormulaC21H16F4N4O2
Molecular Weight432.38 g/mol
Exact Mass432.12
IUPAC Name3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C21H16F4N4O2/c22-16-6-4-14(5-7-16)17-11-18(31-28-17)20(30)26-19-8-9-29(27-19)12-13-2-1-3-15(10-13)21(23,24)25/h1-10,18H,11-12H2,(H,26,27,30)
InChIKeyVUURLGHVSXIFGV-UHFFFAOYSA-N
XLogP4.22
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493444
3-(4-fluorophenyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46138196
3-(3-bromophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493877
3-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493445
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491545
3-(4-fluorophenyl)-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491778
3-(3-bromophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495642
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[3-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493493
(5R)-3-(3,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302191
(5R)-3-(2,5-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 99807157

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493563) is 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VUURLGHVSXIFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O2/c22-16-6-4-14(5-7-16)17-11-18(31-28-17)20(30)26-19-8-9-29(27-19)12-13-2-1-3-15(10-13)21(23,24)25/h1-10,18H,11-12H2,(H,26,27,30).
What are the key properties of 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 432.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).