2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide

C21H20N4O3 — CID 24792951

IUPAC2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCc3cccc(-n4cccn4)c3)cc2o1
InChIInChI=1S/C21H20N4O3/c1-27-11-8-20-24-18-7-6-16(13-19(18)28-20)21(26)22-14-15-4-2-5-17(12-15)25-10-3-9-23-25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,22,26)
InChIKeyLBRJBHVAHMENGJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.13
Rot. Bonds7

About 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide

2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 24792951) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID24792951
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCc3cccc(-n4cccn4)c3)cc2o1
InChIInChI=1S/C21H20N4O3/c1-27-11-8-20-24-18-7-6-16(13-19(18)28-20)21(26)22-14-15-4-2-5-17(12-15)25-10-3-9-23-25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,22,26)
InChIKeyLBRJBHVAHMENGJ-UHFFFAOYSA-N
XLogP3.13
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide (CID 24792951) is 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)NCc3cccc(-n4cccn4)c3)cc2o1.
What is the InChIKey of 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is LBRJBHVAHMENGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-11-8-20-24-18-7-6-16(13-19(18)28-20)21(26)22-14-15-4-2-5-17(12-15)25-10-3-9-23-25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,22,26).
What are the key properties of 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24792951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).