3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

C19H20ClN3OS — CID 8599611

IUPAC3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESClc1cccc(CN2CCN(Cc3cc(-c4cccs4)on3)CC2)c1
InChIInChI=1S/C19H20ClN3OS/c20-16-4-1-3-15(11-16)13-22-6-8-23(9-7-22)14-17-12-18(24-21-17)19-5-2-10-25-19/h1-5,10-12H,6-9,13-14H2
InChIKeyWAGDMXNMKBCIPH-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.37
Rot. Bonds5

About 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (PubChem CID 8599611) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
PubChem CID8599611
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESClc1cccc(CN2CCN(Cc3cc(-c4cccs4)on3)CC2)c1
InChIInChI=1S/C19H20ClN3OS/c20-16-4-1-3-15(11-16)13-22-6-8-23(9-7-22)14-17-12-18(24-21-17)19-5-2-10-25-19/h1-5,10-12H,6-9,13-14H2
InChIKeyWAGDMXNMKBCIPH-UHFFFAOYSA-N
XLogP4.37
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195276
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568358
phenyl-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 8597017
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79611090
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 94530936

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (CID 8599611) is 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is Clc1cccc(CN2CCN(Cc3cc(-c4cccs4)on3)CC2)c1.
What is the InChIKey of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is WAGDMXNMKBCIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c20-16-4-1-3-15(11-16)13-22-6-8-23(9-7-22)14-17-12-18(24-21-17)19-5-2-10-25-19/h1-5,10-12H,6-9,13-14H2.
What are the key properties of 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 373.91 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 8599611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).