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

C22H22N4O4 — CID 56544955

IUPAC3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)on2)cc1
InChIInChI=1S/C22H22N4O4/c1-4-15-5-7-16(8-6-15)20-12-21(30-26-20)25-22(29)17-9-18(23-13(2)27)11-19(10-17)24-14(3)28/h5-12H,4H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeySGUZZDCIOAPOBS-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.07
Rot. Bonds6

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

3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 56544955) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
PubChem CID56544955
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)on2)cc1
InChIInChI=1S/C22H22N4O4/c1-4-15-5-7-16(8-6-15)20-12-21(30-26-20)25-22(29)17-9-18(23-13(2)27)11-19(10-17)24-14(3)28/h5-12H,4H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeySGUZZDCIOAPOBS-UHFFFAOYSA-N
XLogP4.07
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
CID 56570106
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
4-amino-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-nitrobenzamide
CID 56544763
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
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-piperidin-1-ylsulfonylbenzamide
CID 56529969
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 56529971
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56530199

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide (CID 56544955) is 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide is CCc1ccc(-c2cc(NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)on2)cc1.
What is the InChIKey of 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is SGUZZDCIOAPOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-4-15-5-7-16(8-6-15)20-12-21(30-26-20)25-22(29)17-9-18(23-13(2)27)11-19(10-17)24-14(3)28/h5-12H,4H2,1-3H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 406.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 56544955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).