5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide

C20H24N4O3 — CID 24790244

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(COc2cc(C)ccc2C)on1
InChIInChI=1S/C20H24N4O3/c1-4-23(10-11-24-9-5-8-21-24)20(25)18-13-17(27-22-18)14-26-19-12-15(2)6-7-16(19)3/h5-9,12-13H,4,10-11,14H2,1-3H3
InChIKeyQKFZNHNKJIXMJU-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.23
Rot. Bonds8

About 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24790244) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID24790244
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(COc2cc(C)ccc2C)on1
InChIInChI=1S/C20H24N4O3/c1-4-23(10-11-24-9-5-8-21-24)20(25)18-13-17(27-22-18)14-26-19-12-15(2)6-7-16(19)3/h5-9,12-13H,4,10-11,14H2,1-3H3
InChIKeyQKFZNHNKJIXMJU-UHFFFAOYSA-N
XLogP3.23
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (CID 24790244) is 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is CCN(CCn1cccn1)C(=O)c1cc(COc2cc(C)ccc2C)on1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QKFZNHNKJIXMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-23(10-11-24-9-5-8-21-24)20(25)18-13-17(27-22-18)14-26-19-12-15(2)6-7-16(19)3/h5-9,12-13H,4,10-11,14H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).