5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide

C17H14F2N4O2 — CID 178030702

IUPAC5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
SMILESCc1c(C=CNC(=O)c2cc(-c3ccc(F)cc3F)on2)cnn1C
InChIInChI=1S/C17H14F2N4O2/c1-10-11(9-21-23(10)2)5-6-20-17(24)15-8-16(25-22-15)13-4-3-12(18)7-14(13)19/h3-9H,1-2H3,(H,20,24)
InChIKeyDXBFBUYFKQXXME-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.06
Rot. Bonds4

About 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide (PubChem CID 178030702) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
PubChem CID178030702
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
SMILESCc1c(C=CNC(=O)c2cc(-c3ccc(F)cc3F)on2)cnn1C
InChIInChI=1S/C17H14F2N4O2/c1-10-11(9-21-23(10)2)5-6-20-17(24)15-8-16(25-22-15)13-4-3-12(18)7-14(13)19/h3-9H,1-2H3,(H,20,24)
InChIKeyDXBFBUYFKQXXME-UHFFFAOYSA-N
XLogP3.06
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide (CID 178030702) is 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide is Cc1c(C=CNC(=O)c2cc(-c3ccc(F)cc3F)on2)cnn1C.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DXBFBUYFKQXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-10-11(9-21-23(10)2)5-6-20-17(24)15-8-16(25-22-15)13-4-3-12(18)7-14(13)19/h3-9H,1-2H3,(H,20,24).
What are the key properties of 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide?
5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 178030702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).