N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide

C18H14F2N2O2 — CID 56569806

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cc(F)ccc3F)on2)cc1
InChIInChI=1S/C18H14F2N2O2/c1-2-11-3-5-12(6-4-11)16-10-17(24-22-16)21-18(23)14-9-13(19)7-8-15(14)20/h3-10H,2H2,1H3,(H,21,23)
InChIKeyDTLPTZUTURRBOA-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.43
Rot. Bonds4

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide (PubChem CID 56569806) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
PubChem CID56569806
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cc(F)ccc3F)on2)cc1
InChIInChI=1S/C18H14F2N2O2/c1-2-11-3-5-12(6-4-11)16-10-17(24-22-16)21-18(23)14-9-13(19)7-8-15(14)20/h3-10H,2H2,1H3,(H,21,23)
InChIKeyDTLPTZUTURRBOA-UHFFFAOYSA-N
XLogP4.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56530159
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
CID 7711262
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56569965
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 56569842
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56530199
4-amino-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-nitrobenzamide
CID 56544763
methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
CID 56570036
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide (CID 56569806) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide is CCc1ccc(-c2cc(NC(=O)c3cc(F)ccc3F)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide?
The InChIKey is DTLPTZUTURRBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-2-11-3-5-12(6-4-11)16-10-17(24-22-16)21-18(23)14-9-13(19)7-8-15(14)20/h3-10H,2H2,1H3,(H,21,23).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide has a molecular weight of 328.32 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 56569806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).