[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C21H20ClN3O2 — CID 1050462

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O2/c1-15-19(20(23-27-15)17-9-5-6-10-18(17)22)21(26)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyIBRKWBCIUYFGCA-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.27
Rot. Bonds3

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1050462) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID1050462
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O2/c1-15-19(20(23-27-15)17-9-5-6-10-18(17)22)21(26)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyIBRKWBCIUYFGCA-UHFFFAOYSA-N
XLogP4.27
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 1050462) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is IBRKWBCIUYFGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-15-19(20(23-27-15)17-9-5-6-10-18(17)22)21(26)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 381.86 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1050462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).