5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole

C19H19BrN4O — CID 120755758

IUPAC5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESBrc1ccc(-c2cnc(CN3CCNCC3c3cccnc3)o2)cc1
InChIInChI=1S/C19H19BrN4O/c20-16-5-3-14(4-6-16)18-12-23-19(25-18)13-24-9-8-22-11-17(24)15-2-1-7-21-10-15/h1-7,10,12,17,22H,8-9,11,13H2
InChIKeyCGZYHBPVSPAOJC-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.65
Rot. Bonds4

About 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole

5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 120755758) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID120755758
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESBrc1ccc(-c2cnc(CN3CCNCC3c3cccnc3)o2)cc1
InChIInChI=1S/C19H19BrN4O/c20-16-5-3-14(4-6-16)18-12-23-19(25-18)13-24-9-8-22-11-17(24)15-2-1-7-21-10-15/h1-7,10,12,17,22H,8-9,11,13H2
InChIKeyCGZYHBPVSPAOJC-UHFFFAOYSA-N
XLogP3.65
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
CID 120756268
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755708
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870308
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 120755758) is 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole is Brc1ccc(-c2cnc(CN3CCNCC3c3cccnc3)o2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is CGZYHBPVSPAOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c20-16-5-3-14(4-6-16)18-12-23-19(25-18)13-24-9-8-22-11-17(24)15-2-1-7-21-10-15/h1-7,10,12,17,22H,8-9,11,13H2.
What are the key properties of 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole?
5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 399.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 120755758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).