5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C22H20N4O3 — CID 126842402

IUPAC5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccccc3)c2)c1
InChIInChI=1S/C22H20N4O3/c1-16-6-5-7-17(12-16)21-20(23-15-29-21)22(27)25-18-13-24-26(14-18)10-11-28-19-8-3-2-4-9-19/h2-9,12-15H,10-11H2,1H3,(H,25,27)
InChIKeyRTBFUILJTDEINN-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.18
Rot. Bonds7

About 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126842402) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID126842402
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccccc3)c2)c1
InChIInChI=1S/C22H20N4O3/c1-16-6-5-7-17(12-16)21-20(23-15-29-21)22(27)25-18-13-24-26(14-18)10-11-28-19-8-3-2-4-9-19/h2-9,12-15H,10-11H2,1H3,(H,25,27)
InChIKeyRTBFUILJTDEINN-UHFFFAOYSA-N
XLogP4.18
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 126842402) is 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccccc3)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is RTBFUILJTDEINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-16-6-5-7-17(12-16)21-20(23-15-29-21)22(27)25-18-13-24-26(14-18)10-11-28-19-8-3-2-4-9-19/h2-9,12-15H,10-11H2,1H3,(H,25,27).
What are the key properties of 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).