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

C16H15N3O4S — CID 2470841

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-9-6-11(19-23-9)15(20)18-16-17-12(8-24-16)10-4-5-13(21-2)14(7-10)22-3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyRXOPASMNQPXHFO-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.38
Rot. Bonds5

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

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2470841) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2470841
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-9-6-11(19-23-9)15(20)18-16-17-12(8-24-16)10-4-5-13(21-2)14(7-10)22-3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyRXOPASMNQPXHFO-UHFFFAOYSA-N
XLogP3.38
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 2470841) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is RXOPASMNQPXHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-9-6-11(19-23-9)15(20)18-16-17-12(8-24-16)10-4-5-13(21-2)14(7-10)22-3/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2470841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).