5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C19H20F2N4O3 — CID 24790204

IUPAC5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C19H20F2N4O3/c1-10(18-11(2)23-25(4)12(18)3)22-19(26)17-8-14(28-24-17)9-27-13-5-6-15(20)16(21)7-13/h5-8,10H,9H2,1-4H3,(H,22,26)
InChIKeyHILJRULFIFFRTI-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.37
Rot. Bonds6

About 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24790204) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24790204
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C19H20F2N4O3/c1-10(18-11(2)23-25(4)12(18)3)22-19(26)17-8-14(28-24-17)9-27-13-5-6-15(20)16(21)7-13/h5-8,10H,9H2,1-4H3,(H,22,26)
InChIKeyHILJRULFIFFRTI-UHFFFAOYSA-N
XLogP3.37
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24790204) is 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1nn(C)c(C)c1C(C)NC(=O)c1cc(COc2ccc(F)c(F)c2)on1.
What is the InChIKey of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HILJRULFIFFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-10(18-11(2)23-25(4)12(18)3)22-19(26)17-8-14(28-24-17)9-27-13-5-6-15(20)16(21)7-13/h5-8,10H,9H2,1-4H3,(H,22,26).
What are the key properties of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).