[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate

C21H17N3O3 — CID 55547095

IUPAC[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
SMILESCc1ccc(-c2nc(COC(=O)c3cn[nH]c3-c3ccccc3)co2)cc1
InChIInChI=1S/C21H17N3O3/c1-14-7-9-16(10-8-14)20-23-17(12-26-20)13-27-21(25)18-11-22-24-19(18)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)
InChIKeyVSGVXIGCLANANT-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.40
Rot. Bonds5

About [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate (PubChem CID 55547095) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
PubChem CID55547095
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
SMILESCc1ccc(-c2nc(COC(=O)c3cn[nH]c3-c3ccccc3)co2)cc1
InChIInChI=1S/C21H17N3O3/c1-14-7-9-16(10-8-14)20-23-17(12-26-20)13-27-21(25)18-11-22-24-19(18)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)
InChIKeyVSGVXIGCLANANT-UHFFFAOYSA-N
XLogP4.40
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55528539
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
(2-phenyl-1,3-oxazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 32925580
(2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378910
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 75500873
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate (CID 55547095) is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate is Cc1ccc(-c2nc(COC(=O)c3cn[nH]c3-c3ccccc3)co2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The InChIKey is VSGVXIGCLANANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-7-9-16(10-8-14)20-23-17(12-26-20)13-27-21(25)18-11-22-24-19(18)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 55547095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).