2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

C25H26N4O2 — CID 56672810

IUPAC2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(c4cc(C)nc5ccccc45)CC3)co2)cc1
InChIInChI=1S/C25H26N4O2/c1-18-15-24(22-5-3-4-6-23(22)26-18)29-13-11-28(12-14-29)16-20-17-31-25(27-20)19-7-9-21(30-2)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyVIAHPXGACAKPKP-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.53
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 56672810) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID56672810
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(c4cc(C)nc5ccccc45)CC3)co2)cc1
InChIInChI=1S/C25H26N4O2/c1-18-15-24(22-5-3-4-6-23(22)26-18)29-13-11-28(12-14-29)16-20-17-31-25(27-20)19-7-9-21(30-2)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyVIAHPXGACAKPKP-UHFFFAOYSA-N
XLogP4.53
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 56672810) is 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is COc1ccc(-c2nc(CN3CCN(c4cc(C)nc5ccccc45)CC3)co2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is VIAHPXGACAKPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-15-24(22-5-3-4-6-23(22)26-18)29-13-11-28(12-14-29)16-20-17-31-25(27-20)19-7-9-21(30-2)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 414.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 56672810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).