N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide

C21H20N4O3S — CID 16746109

IUPACN-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C)c(C3(C)CC(c4cccnc4)=NO3)s2)cc1
InChIInChI=1S/C21H20N4O3S/c1-13-18(21(2)11-17(25-28-21)14-5-4-10-22-12-14)29-20(23-13)19(26)24-15-6-8-16(27-3)9-7-15/h4-10,12H,11H2,1-3H3,(H,24,26)
InChIKeyRXDMFYLYZSBZAQ-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.15
Rot. Bonds5

About N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide

N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 16746109) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide
PubChem CID16746109
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C)c(C3(C)CC(c4cccnc4)=NO3)s2)cc1
InChIInChI=1S/C21H20N4O3S/c1-13-18(21(2)11-17(25-28-21)14-5-4-10-22-12-14)29-20(23-13)19(26)24-15-6-8-16(27-3)9-7-15/h4-10,12H,11H2,1-3H3,(H,24,26)
InChIKeyRXDMFYLYZSBZAQ-UHFFFAOYSA-N
XLogP4.15
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide (CID 16746109) is N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide is COc1ccc(NC(=O)c2nc(C)c(C3(C)CC(c4cccnc4)=NO3)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is RXDMFYLYZSBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13-18(21(2)11-17(25-28-21)14-5-4-10-22-12-14)29-20(23-13)19(26)24-15-6-8-16(27-3)9-7-15/h4-10,12H,11H2,1-3H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide?
N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 16746109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).