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

C20H12F5N5O2 — CID 156596101

IUPAC5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ncccc2F)on1
InChIInChI=1S/C20H12F5N5O2/c21-12-3-4-14(20(23,24)25)11(6-12)9-30-10-13(8-27-30)28-19(31)16-7-17(32-29-16)18-15(22)2-1-5-26-18/h1-8,10H,9H2,(H,28,31)
InChIKeyAQTJVIPFUQMYJD-UHFFFAOYSA-N
MW449.34 g/mol
LogP4.53
Rot. Bonds5

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

5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 156596101) has the molecular formula C20H12F5N5O2 and a molecular weight of 449.34 g/mol. Its IUPAC name is 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID156596101
Molecular FormulaC20H12F5N5O2
Molecular Weight449.34 g/mol
Exact Mass449.09
IUPAC Name5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ncccc2F)on1
InChIInChI=1S/C20H12F5N5O2/c21-12-3-4-14(20(23,24)25)11(6-12)9-30-10-13(8-27-30)28-19(31)16-7-17(32-29-16)18-15(22)2-1-5-26-18/h1-8,10H,9H2,(H,28,31)
InChIKeyAQTJVIPFUQMYJD-UHFFFAOYSA-N
XLogP4.53
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
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CID 57944963
N-Ethyl-N-{2-[5-(5-fluoropyridin-2-yl)-1,2-oxazol-3-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007307
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5093515
N-[1-(3-Fluorobenzyl)-1H-pyrazol-4-YL]-5-phenyl-3-isoxazolecarboxamide
CID 4867418
3-(1-methyl-1H-pyrazol-3-yl)-N-(5-phenylisoxazol-4-yl)-4-(trifluoromethyl)benzamide
CID 118392900
US11306078, Example 4.043
CID 141677999
US11306078, Example 4.034
CID 141748938
US11306078, Example 1.042
CID 141749049
5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220472
5-piperidin-1-yl-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220473

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 156596101) is 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ncccc2F)on1.
What is the InChIKey of 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AQTJVIPFUQMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N5O2/c21-12-3-4-14(20(23,24)25)11(6-12)9-30-10-13(8-27-30)28-19(31)16-7-17(32-29-16)18-15(22)2-1-5-26-18/h1-8,10H,9H2,(H,28,31).
What are the key properties of 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 449.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).