5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole

C27H28N4O — CID 26412946

IUPAC5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole
SMILESCc1cccc(N2CCN(Cc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)CC2)n1
InChIInChI=1S/C27H28N4O/c1-20-7-6-10-26(28-20)31-17-15-30(16-18-31)19-25-21(2)32-27(29-25)24-13-11-23(12-14-24)22-8-4-3-5-9-22/h3-14H,15-19H2,1-2H3
InChIKeyCNBFAEIYOMUCIK-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.34
Rot. Bonds5

About 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole

5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole (PubChem CID 26412946) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole
PubChem CID26412946
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole
SMILESCc1cccc(N2CCN(Cc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)CC2)n1
InChIInChI=1S/C27H28N4O/c1-20-7-6-10-26(28-20)31-17-15-30(16-18-31)19-25-21(2)32-27(29-25)24-13-11-23(12-14-24)22-8-4-3-5-9-22/h3-14H,15-19H2,1-2H3
InChIKeyCNBFAEIYOMUCIK-UHFFFAOYSA-N
XLogP5.34
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole (CID 26412946) is 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole is Cc1cccc(N2CCN(Cc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)CC2)n1.
What is the InChIKey of 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole?
The InChIKey is CNBFAEIYOMUCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-20-7-6-10-26(28-20)31-17-15-30(16-18-31)19-25-21(2)32-27(29-25)24-13-11-23(12-14-24)22-8-4-3-5-9-22/h3-14H,15-19H2,1-2H3.
What are the key properties of 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole?
5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole has a molecular weight of 424.55 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2-(4-phenylphenyl)-1,3-oxazole is sourced from PubChem (CID 26412946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).