5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide

C22H18N4O3S — CID 158019660

IUPAC5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C22H18N4O3S/c1-13-12-30-22(23-13)26-20(28)18-19(15-8-10-17(11-9-15)24-14(2)27)29-21(25-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,27)(H,23,26,28)
InChIKeyFFXDHUSRYFXPLM-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.98
Rot. Bonds5

About 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide

5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 158019660) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID158019660
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C22H18N4O3S/c1-13-12-30-22(23-13)26-20(28)18-19(15-8-10-17(11-9-15)24-14(2)27)29-21(25-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,27)(H,23,26,28)
InChIKeyFFXDHUSRYFXPLM-UHFFFAOYSA-N
XLogP4.98
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.98
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)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70164829
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
CID 70166281
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 10206250
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 70167441
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
CID 142162601
N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,3-oxazole-2-carboxamide
CID 16949632

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 158019660) is 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is FFXDHUSRYFXPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-13-12-30-22(23-13)26-20(28)18-19(15-8-10-17(11-9-15)24-14(2)27)29-21(25-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,27)(H,23,26,28).
What are the key properties of 5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.98, 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-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 158019660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).