5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide

C20H16N4O2S — CID 134816802

IUPAC5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccc4)no3)cs2)cc1
InChIInChI=1S/C20H16N4O2S/c1-13-7-9-15(10-8-13)22-20-23-17(12-27-20)18-11-16(24-26-18)19(25)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,25)(H,22,23)
InChIKeySOBIABRVMNYJRI-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.10
Rot. Bonds5

About 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide

5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 134816802) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide
PubChem CID134816802
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccc4)no3)cs2)cc1
InChIInChI=1S/C20H16N4O2S/c1-13-7-9-15(10-8-13)22-20-23-17(12-27-20)18-11-16(24-26-18)19(25)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,25)(H,22,23)
InChIKeySOBIABRVMNYJRI-UHFFFAOYSA-N
XLogP5.10
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide (CID 134816802) is 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide is Cc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccc4)no3)cs2)cc1.
What is the InChIKey of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is SOBIABRVMNYJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-13-7-9-15(10-8-13)22-20-23-17(12-27-20)18-11-16(24-26-18)19(25)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide?
5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134816802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).