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

C19H21N3O4 — CID 24817789

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)on1
InChIInChI=1S/C19H21N3O4/c1-12-5-6-15(7-13(12)2)24-11-17-9-18(21-26-17)19(23)22(4)10-16-8-14(3)20-25-16/h5-9H,10-11H2,1-4H3
InChIKeyVVIRXQOCBHXUPO-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.44
Rot. Bonds6

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

5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24817789) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24817789
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)on1
InChIInChI=1S/C19H21N3O4/c1-12-5-6-15(7-13(12)2)24-11-17-9-18(21-26-17)19(23)22(4)10-16-8-14(3)20-25-16/h5-9H,10-11H2,1-4H3
InChIKeyVVIRXQOCBHXUPO-UHFFFAOYSA-N
XLogP3.44
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24817789) is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)on1.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VVIRXQOCBHXUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-5-6-15(7-13(12)2)24-11-17-9-18(21-26-17)19(23)22(4)10-16-8-14(3)20-25-16/h5-9H,10-11H2,1-4H3.
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).