5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide

C26H21N3O5 — CID 70164829

IUPAC5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C26H21N3O5/c1-16(30)27-19-9-7-17(8-10-19)24-23(29-26(34-24)18-5-3-2-4-6-18)25(31)28-20-11-12-21-22(15-20)33-14-13-32-21/h2-12,15H,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyLQCSPSNNBNIARD-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.99
Rot. Bonds5

About 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide

5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 70164829) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID70164829
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C26H21N3O5/c1-16(30)27-19-9-7-17(8-10-19)24-23(29-26(34-24)18-5-3-2-4-6-18)25(31)28-20-11-12-21-22(15-20)33-14-13-32-21/h2-12,15H,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyLQCSPSNNBNIARD-UHFFFAOYSA-N
XLogP4.99
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
5-(4-acetamidophenyl)-N-(4-methyl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 142162300
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 158019660
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
CID 46393343
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
CID 142162557
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
CID 142162601

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 70164829) is 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is LQCSPSNNBNIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-16(30)27-19-9-7-17(8-10-19)24-23(29-26(34-24)18-5-3-2-4-6-18)25(31)28-20-11-12-21-22(15-20)33-14-13-32-21/h2-12,15H,13-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70164829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).