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

C20H20ClN3O — CID 15925601

IUPAC2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESClc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1
InChIInChI=1S/C20H20ClN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h1-9,15H,10-14H2
InChIKeyJGXFLRNIMLCXJT-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.32
Rot. Bonds4

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

2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 15925601) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID15925601
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESClc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1
InChIInChI=1S/C20H20ClN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h1-9,15H,10-14H2
InChIKeyJGXFLRNIMLCXJT-UHFFFAOYSA-N
XLogP4.32
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675742
2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole
CID 56675982
2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 110170891
4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56669146
4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
CID 56675974
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 56665694
2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56672942
4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2-bromophenyl)-1,3-oxazole
CID 56658643
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 55831124
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (CID 15925601) is 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is Clc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is JGXFLRNIMLCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h1-9,15H,10-14H2.
What are the key properties of 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 353.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 15925601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).