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

C22H20N4O3 — CID 3243257

IUPAC5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)c1
InChIInChI=1S/C22H20N4O3/c1-15-6-3-4-7-17(15)13-26-14-18(12-23-26)24-22(27)20-11-21(29-25-20)16-8-5-9-19(10-16)28-2/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyJMRFGXOJUDIDBI-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.16
Rot. Bonds6

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

5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 3243257) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID3243257
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)c1
InChIInChI=1S/C22H20N4O3/c1-15-6-3-4-7-17(15)13-26-14-18(12-23-26)24-22(27)20-11-21(29-25-20)16-8-5-9-19(10-16)28-2/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyJMRFGXOJUDIDBI-UHFFFAOYSA-N
XLogP4.16
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}[5-(3-methoxyphenyl)iso xazol-3-yl]carboxamide
CID 15988736
5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
CID 2962287
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9551038
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 25206166
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 57422267
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,5-dimethoxybenzamide
CID 57422268
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 57944907
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 57945012
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 57945017
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 57945020
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 3243257) is 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JMRFGXOJUDIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-6-3-4-7-17(15)13-26-14-18(12-23-26)24-22(27)20-11-21(29-25-20)16-8-5-9-19(10-16)28-2/h3-12,14H,13H2,1-2H3,(H,24,27).
What are the key properties of 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).