2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide

C17H21ClN4O2 — CID 86789406

IUPAC2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cnc(CN2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H21ClN4O2/c1-12-10-20-15(24-12)11-21-6-8-22(9-7-21)16(17(19)23)13-2-4-14(18)5-3-13/h2-5,10,16H,6-9,11H2,1H3,(H2,19,23)
InChIKeyXEMFIXYGOZDSRQ-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.98
Rot. Bonds5

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

2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 86789406) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID86789406
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cnc(CN2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H21ClN4O2/c1-12-10-20-15(24-12)11-21-6-8-22(9-7-21)16(17(19)23)13-2-4-14(18)5-3-13/h2-5,10,16H,6-9,11H2,1H3,(H2,19,23)
InChIKeyXEMFIXYGOZDSRQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 86789406) is 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide is Cc1cnc(CN2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is XEMFIXYGOZDSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-12-10-20-15(24-12)11-21-6-8-22(9-7-21)16(17(19)23)13-2-4-14(18)5-3-13/h2-5,10,16H,6-9,11H2,1H3,(H2,19,23).
What are the key properties of 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86789406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).