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

C16H18ClN3O2 — CID 798832

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H18ClN3O2/c1-11-14(16(21)20-9-7-19(2)8-10-20)15(18-22-11)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3
InChIKeyRBYGUFHTZJFRDC-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.69
Rot. Bonds2

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

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 798832) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID798832
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H18ClN3O2/c1-11-14(16(21)20-9-7-19(2)8-10-20)15(18-22-11)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3
InChIKeyRBYGUFHTZJFRDC-UHFFFAOYSA-N
XLogP2.69
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.69
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-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 798832) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RBYGUFHTZJFRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-14(16(21)20-9-7-19(2)8-10-20)15(18-22-11)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 319.79 g/mol, XLogP of 2.69, 2 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 798832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).