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

C18H20N4O3 — CID 24792994

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCCn3cccn3)no2)cc1C
InChIInChI=1S/C18H20N4O3/c1-13-4-5-15(10-14(13)2)24-12-16-11-17(21-25-16)18(23)19-7-9-22-8-3-6-20-22/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,19,23)
InChIKeyNLHLMQOGBDUORL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.50
Rot. Bonds7

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

5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24792994) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID24792994
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCCn3cccn3)no2)cc1C
InChIInChI=1S/C18H20N4O3/c1-13-4-5-15(10-14(13)2)24-12-16-11-17(21-25-16)18(23)19-7-9-22-8-3-6-20-22/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,19,23)
InChIKeyNLHLMQOGBDUORL-UHFFFAOYSA-N
XLogP2.50
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.50
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-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (CID 24792994) is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCCn3cccn3)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NLHLMQOGBDUORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-4-5-15(10-14(13)2)24-12-16-11-17(21-25-16)18(23)19-7-9-22-8-3-6-20-22/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,19,23).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.50, 7 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-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24792994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).