5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

C21H23N3O2 — CID 24720057

IUPAC5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C21H23N3O2/c1-14-18(20(25)23-13-15-6-5-11-22-12-15)19(26-24-14)16-7-9-17(10-8-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyYZTWAJRATFEWDG-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.27
Rot. Bonds4

About 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 24720057) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID24720057
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C21H23N3O2/c1-14-18(20(25)23-13-15-6-5-11-22-12-15)19(26-24-14)16-7-9-17(10-8-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyYZTWAJRATFEWDG-UHFFFAOYSA-N
XLogP4.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (CID 24720057) is 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1cccnc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YZTWAJRATFEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-18(20(25)23-13-15-6-5-11-22-12-15)19(26-24-14)16-7-9-17(10-8-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24720057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).