4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide

C23H18N2O2 — CID 50835495

IUPAC4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1
InChIInChI=1S/C23H18N2O2/c1-16-7-9-18(10-8-16)22(26)24-20-13-11-19(12-14-20)23-25-21(15-27-23)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,26)
InChIKeyPYYFGUVALNTLJH-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.57
Rot. Bonds4

About 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide

4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide (PubChem CID 50835495) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
PubChem CID50835495
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1
InChIInChI=1S/C23H18N2O2/c1-16-7-9-18(10-8-16)22(26)24-20-13-11-19(12-14-20)23-25-21(15-27-23)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,26)
InChIKeyPYYFGUVALNTLJH-UHFFFAOYSA-N
XLogP5.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide (CID 50835495) is 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
The InChIKey is PYYFGUVALNTLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-7-9-18(10-8-16)22(26)24-20-13-11-19(12-14-20)23-25-21(15-27-23)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,26).
What are the key properties of 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide?
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 50835495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).