2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide

C18H24N4O2 — CID 100718723

IUPAC2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1nc(C)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C18H24N4O2/c1-14-17(24-15(2)19-14)12-21-8-10-22(11-9-21)13-18(23)20-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,20,23)
InChIKeyKHRVLFHCOPTHBR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.05
Rot. Bonds5

About 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 100718723) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID100718723
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1nc(C)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C18H24N4O2/c1-14-17(24-15(2)19-14)12-21-8-10-22(11-9-21)13-18(23)20-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,20,23)
InChIKeyKHRVLFHCOPTHBR-UHFFFAOYSA-N
XLogP2.05
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide (CID 100718723) is 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide is Cc1nc(C)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)o1.
What is the InChIKey of 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is KHRVLFHCOPTHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-17(24-15(2)19-14)12-21-8-10-22(11-9-21)13-18(23)20-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 328.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 100718723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).