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

C19H22N4O3 — CID 25368405

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3cn(C)nc3C)no2)cc1C
InChIInChI=1S/C19H22N4O3/c1-12-5-6-16(7-13(12)2)25-11-17-8-18(22-26-17)19(24)20-9-15-10-23(4)21-14(15)3/h5-8,10H,9,11H2,1-4H3,(H,20,24)
InChIKeyWUBOTQVIXDTFTL-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.84
Rot. Bonds6

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

5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 25368405) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID25368405
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3cn(C)nc3C)no2)cc1C
InChIInChI=1S/C19H22N4O3/c1-12-5-6-16(7-13(12)2)25-11-17-8-18(22-26-17)19(24)20-9-15-10-23(4)21-14(15)3/h5-8,10H,9,11H2,1-4H3,(H,20,24)
InChIKeyWUBOTQVIXDTFTL-UHFFFAOYSA-N
XLogP2.84
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 25368405) is 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCc3cn(C)nc3C)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WUBOTQVIXDTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-5-6-16(7-13(12)2)25-11-17-8-18(22-26-17)19(24)20-9-15-10-23(4)21-14(15)3/h5-8,10H,9,11H2,1-4H3,(H,20,24).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25368405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).