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

C18H18F2N4O3 — CID 19484036

IUPAC4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2noc(C)c2COc2ccc(F)cc2F)c1C
InChIInChI=1S/C18H18F2N4O3/c1-4-24-10(2)15(8-21-24)22-18(25)17-13(11(3)27-23-17)9-26-16-6-5-12(19)7-14(16)20/h5-8H,4,9H2,1-3H3,(H,22,25)
InChIKeyWQLMPIJWBGUODJ-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.62
Rot. Bonds6

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

4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19484036) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19484036
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2noc(C)c2COc2ccc(F)cc2F)c1C
InChIInChI=1S/C18H18F2N4O3/c1-4-24-10(2)15(8-21-24)22-18(25)17-13(11(3)27-23-17)9-26-16-6-5-12(19)7-14(16)20/h5-8H,4,9H2,1-3H3,(H,22,25)
InChIKeyWQLMPIJWBGUODJ-UHFFFAOYSA-N
XLogP3.62
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484044
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19483909
N-(1-benzylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483918
N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484171
N-[4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483990
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
CID 19484018
4-[(2,4-difluorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483906

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19484036) is 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide is CCn1ncc(NC(=O)c2noc(C)c2COc2ccc(F)cc2F)c1C.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WQLMPIJWBGUODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-4-24-10(2)15(8-21-24)22-18(25)17-13(11(3)27-23-17)9-26-16-6-5-12(19)7-14(16)20/h5-8H,4,9H2,1-3H3,(H,22,25).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19484036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).