4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide

C17H17N3O3S — CID 71862466

IUPAC4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H17N3O3S/c1-10-13(20-17(23-10)15-4-3-7-24-15)9-19-12-8-11(16(18)21)5-6-14(12)22-2/h3-8,19H,9H2,1-2H3,(H2,18,21)
InChIKeyACRGKQXLIMKCDR-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.43
Rot. Bonds6

About 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide

4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide (PubChem CID 71862466) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide
PubChem CID71862466
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H17N3O3S/c1-10-13(20-17(23-10)15-4-3-7-24-15)9-19-12-8-11(16(18)21)5-6-14(12)22-2/h3-8,19H,9H2,1-2H3,(H2,18,21)
InChIKeyACRGKQXLIMKCDR-UHFFFAOYSA-N
XLogP3.43
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide (CID 71862466) is 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide is COc1ccc(C(N)=O)cc1NCc1nc(-c2cccs2)oc1C.
What is the InChIKey of 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide?
The InChIKey is ACRGKQXLIMKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-13(20-17(23-10)15-4-3-7-24-15)9-19-12-8-11(16(18)21)5-6-14(12)22-2/h3-8,19H,9H2,1-2H3,(H2,18,21).
What are the key properties of 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide?
4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide has a molecular weight of 343.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 71862466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).