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

C19H22N4O3 — CID 24817738

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)n[nH]1
InChIInChI=1S/C19H22N4O3/c1-12-5-6-16(7-13(12)2)25-11-17-9-18(22-26-17)19(24)23(4)10-15-8-14(3)20-21-15/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeyVUIJBQOXSXVFDD-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds6

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

5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24817738) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24817738
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)n[nH]1
InChIInChI=1S/C19H22N4O3/c1-12-5-6-16(7-13(12)2)25-11-17-9-18(22-26-17)19(24)23(4)10-15-8-14(3)20-21-15/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeyVUIJBQOXSXVFDD-UHFFFAOYSA-N
XLogP3.17
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24817738) is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)n[nH]1.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VUIJBQOXSXVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-5-6-16(7-13(12)2)25-11-17-9-18(22-26-17)19(24)23(4)10-15-8-14(3)20-21-15/h5-9H,10-11H2,1-4H3,(H,20,21).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).