2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

C21H17N3O3S — CID 110313567

IUPAC2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)Nc3ccc(-c4nccs4)cc3)no2)c1
InChIInChI=1S/C21H17N3O3S/c1-26-18-4-2-3-15(11-18)19-12-17(24-27-19)13-20(25)23-16-7-5-14(6-8-16)21-22-9-10-28-21/h2-12H,13H2,1H3,(H,23,25)
InChIKeyAFGMNFZGMQSGFT-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.65
Rot. Bonds6

About 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 110313567) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
PubChem CID110313567
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)Nc3ccc(-c4nccs4)cc3)no2)c1
InChIInChI=1S/C21H17N3O3S/c1-26-18-4-2-3-15(11-18)19-12-17(24-27-19)13-20(25)23-16-7-5-14(6-8-16)21-22-9-10-28-21/h2-12H,13H2,1H3,(H,23,25)
InChIKeyAFGMNFZGMQSGFT-UHFFFAOYSA-N
XLogP4.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
5-(3-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 110313569
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110316742
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16879227
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide
CID 16879164
N-(4-ethoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878327
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (CID 110313567) is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is COc1cccc(-c2cc(CC(=O)Nc3ccc(-c4nccs4)cc3)no2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The InChIKey is AFGMNFZGMQSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-18-4-2-3-15(11-18)19-12-17(24-27-19)13-20(25)23-16-7-5-14(6-8-16)21-22-9-10-28-21/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 110313567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).