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

C18H18F2N4O3 — CID 24794252

IUPAC5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C18H18F2N4O3/c1-2-23(8-9-24-7-3-6-21-24)18(25)17-11-14(27-22-17)12-26-13-4-5-15(19)16(20)10-13/h3-7,10-11H,2,8-9,12H2,1H3
InChIKeyFKAWFPGCZVEDNV-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.89
Rot. Bonds8

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

5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24794252) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID24794252
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C18H18F2N4O3/c1-2-23(8-9-24-7-3-6-21-24)18(25)17-11-14(27-22-17)12-26-13-4-5-15(19)16(20)10-13/h3-7,10-11H,2,8-9,12H2,1H3
InChIKeyFKAWFPGCZVEDNV-UHFFFAOYSA-N
XLogP2.89
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (CID 24794252) is 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is CCN(CCn1cccn1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1.
What is the InChIKey of 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FKAWFPGCZVEDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-2-23(8-9-24-7-3-6-21-24)18(25)17-11-14(27-22-17)12-26-13-4-5-15(19)16(20)10-13/h3-7,10-11H,2,8-9,12H2,1H3.
What are the key properties of 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).