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

C17H17N3O3S — CID 71985224

IUPAC4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C17H17N3O3S/c1-18-17(21)11-5-6-13(22-2)12(8-11)19-10-16-20-9-14(23-16)15-4-3-7-24-15/h3-9,19H,10H2,1-2H3,(H,18,21)
InChIKeyJWDPJIFDKSRSAC-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.38
Rot. Bonds6

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

4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide (PubChem CID 71985224) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide
PubChem CID71985224
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C17H17N3O3S/c1-18-17(21)11-5-6-13(22-2)12(8-11)19-10-16-20-9-14(23-16)15-4-3-7-24-15/h3-9,19H,10H2,1-2H3,(H,18,21)
InChIKeyJWDPJIFDKSRSAC-UHFFFAOYSA-N
XLogP3.38
TPSA76.39 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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide (CID 71985224) is 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide is CNC(=O)c1ccc(OC)c(NCc2ncc(-c3cccs3)o2)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide?
The InChIKey is JWDPJIFDKSRSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-18-17(21)11-5-6-13(22-2)12(8-11)19-10-16-20-9-14(23-16)15-4-3-7-24-15/h3-9,19H,10H2,1-2H3,(H,18,21).
What are the key properties of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide?
4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide has a molecular weight of 343.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 71985224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).