N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide

C22H23N3O3 — CID 34318469

IUPACN,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-25(4-2)22(27)17-10-12-18(13-11-17)23-20(26)14-19-15-28-21(24-19)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,26)
InChIKeyFUHQBXJXNMYXAC-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.00
Rot. Bonds7

About N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide (PubChem CID 34318469) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
PubChem CID34318469
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-25(4-2)22(27)17-10-12-18(13-11-17)23-20(26)14-19-15-28-21(24-19)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,26)
InChIKeyFUHQBXJXNMYXAC-UHFFFAOYSA-N
XLogP4.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N,N-diethyl-4-[[[N'-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111553741
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 51262315
N-[3-[(dimethylamino)methyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86932024
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449308
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34304284
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34058902

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide (CID 34318469) is N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide?
The InChIKey is FUHQBXJXNMYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-25(4-2)22(27)17-10-12-18(13-11-17)23-20(26)14-19-15-28-21(24-19)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,26).
What are the key properties of N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 34318469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).