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

C22H22N4O3 — CID 24790588

IUPAC2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)N(C)Cc3cccc(-n4cccn4)c3)cc2o1
InChIInChI=1S/C22H22N4O3/c1-25(15-16-5-3-6-18(13-16)26-11-4-10-23-26)22(27)17-7-8-19-20(14-17)29-21(24-19)9-12-28-2/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyVEDYXJWODJCEPZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.47
Rot. Bonds7

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

2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 24790588) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID24790588
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)N(C)Cc3cccc(-n4cccn4)c3)cc2o1
InChIInChI=1S/C22H22N4O3/c1-25(15-16-5-3-6-18(13-16)26-11-4-10-23-26)22(27)17-7-8-19-20(14-17)29-21(24-19)9-12-28-2/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyVEDYXJWODJCEPZ-UHFFFAOYSA-N
XLogP3.47
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794231
4-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 23402759
2-Indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 70802787
US11597728, Example 91
CID 158043367
2-(2-fluorobenzyl)-N-methyl-N-[1-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790318
2-butyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24791010
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24791739
2-(2-fluorobenzyl)-N-methyl-N-(3-pyridinylmethyl)-1,3-benzoxazole-6-carboxamide
CID 24791770
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-(2-fluorobenzyl)-1,3-benzoxazole-6-carboxamide
CID 24792942
[3-(Dimethylamino)pyrrolidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
CID 24792948
2-(3-chlorobenzyl)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24793958

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide (CID 24790588) is 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)N(C)Cc3cccc(-n4cccn4)c3)cc2o1.
What is the InChIKey of 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is VEDYXJWODJCEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25(15-16-5-3-6-18(13-16)26-11-4-10-23-26)22(27)17-7-8-19-20(14-17)29-21(24-19)9-12-28-2/h3-8,10-11,13-14H,9,12,15H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24790588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).