5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide

C17H12N4O3S — CID 172898245

IUPAC5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ncnc4sccc34)no2)cc1
InChIInChI=1S/C17H12N4O3S/c1-23-11-4-2-10(3-5-11)14-8-13(21-24-14)16(22)20-15-12-6-7-25-17(12)19-9-18-15/h2-9H,1H3,(H,18,19,20,22)
InChIKeyXFMOZHJDXUACJM-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.61
Rot. Bonds4

About 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 172898245) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID172898245
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC Name5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ncnc4sccc34)no2)cc1
InChIInChI=1S/C17H12N4O3S/c1-23-11-4-2-10(3-5-11)14-8-13(21-24-14)16(22)20-15-12-6-7-25-17(12)19-9-18-15/h2-9H,1H3,(H,18,19,20,22)
InChIKeyXFMOZHJDXUACJM-UHFFFAOYSA-N
XLogP3.61
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide
CID 95744974
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 52904574
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 39868246
5-(3-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 110313569

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide (CID 172898245) is 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ncnc4sccc34)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XFMOZHJDXUACJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c1-23-11-4-2-10(3-5-11)14-8-13(21-24-14)16(22)20-15-12-6-7-25-17(12)19-9-18-15/h2-9H,1H3,(H,18,19,20,22).
What are the key properties of 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 172898245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).