2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole

C21H23N3O — CID 56675742

IUPAC2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1
InChIInChI=1S/C21H23N3O/c1-17-7-5-6-10-20(17)21-22-18(16-25-21)15-23-11-13-24(14-12-23)19-8-3-2-4-9-19/h2-10,16H,11-15H2,1H3
InChIKeyNAVNQBGEILUORK-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole

2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 56675742) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID56675742
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1
InChIInChI=1S/C21H23N3O/c1-17-7-5-6-10-20(17)21-22-18(16-25-21)15-23-11-13-24(14-12-23)19-8-3-2-4-9-19/h2-10,16H,11-15H2,1H3
InChIKeyNAVNQBGEILUORK-UHFFFAOYSA-N
XLogP3.97
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (CID 56675742) is 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1.
What is the InChIKey of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is NAVNQBGEILUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17-7-5-6-10-20(17)21-22-18(16-25-21)15-23-11-13-24(14-12-23)19-8-3-2-4-9-19/h2-10,16H,11-15H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 333.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56675742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).