5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

C34H31N3O3 — CID 142162588

IUPAC5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C34H31N3O3/c1-22(38)35-27-20-16-24(17-21-27)31-30(37-33(40-31)25-14-18-26(19-15-25)34(2,3)4)32(39)36-29-13-9-8-12-28(29)23-10-6-5-7-11-23/h5-21H,1-4H3,(H,35,38)(H,36,39)
InChIKeyHXUTYUGSILBNHQ-UHFFFAOYSA-N
MW529.64 g/mol
LogP8.18
Rot. Bonds6

About 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 142162588) has the molecular formula C34H31N3O3 and a molecular weight of 529.64 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID142162588
Molecular FormulaC34H31N3O3
Molecular Weight529.64 g/mol
Exact Mass529.24
IUPAC Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C34H31N3O3/c1-22(38)35-27-20-16-24(17-21-27)31-30(37-33(40-31)25-14-18-26(19-15-25)34(2,3)4)32(39)36-29-13-9-8-12-28(29)23-10-6-5-7-11-23/h5-21H,1-4H3,(H,35,38)(H,36,39)
InChIKeyHXUTYUGSILBNHQ-UHFFFAOYSA-N
XLogP8.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (CID 142162588) is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HXUTYUGSILBNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O3/c1-22(38)35-27-20-16-24(17-21-27)31-30(37-33(40-31)25-14-18-26(19-15-25)34(2,3)4)32(39)36-29-13-9-8-12-28(29)23-10-6-5-7-11-23/h5-21H,1-4H3,(H,35,38)(H,36,39).
What are the key properties of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 529.64 g/mol, XLogP of 8.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142162588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).