2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide

C18H25N5O2 — CID 110620977

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
SMILESCCCN1CCN(c2ccc(NC(=O)Cc3noc(C)n3)cc2)CC1
InChIInChI=1S/C18H25N5O2/c1-3-8-22-9-11-23(12-10-22)16-6-4-15(5-7-16)20-18(24)13-17-19-14(2)25-21-17/h4-7H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyPCRFITQJAYUUAA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.09
Rot. Bonds6

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide (PubChem CID 110620977) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
PubChem CID110620977
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
SMILESCCCN1CCN(c2ccc(NC(=O)Cc3noc(C)n3)cc2)CC1
InChIInChI=1S/C18H25N5O2/c1-3-8-22-9-11-23(12-10-22)16-6-4-15(5-7-16)20-18(24)13-17-19-14(2)25-21-17/h4-7H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyPCRFITQJAYUUAA-UHFFFAOYSA-N
XLogP2.09
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623013
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612977
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622867
2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 168522189
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55851465
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110428877
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide (CID 110620977) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide is CCCN1CCN(c2ccc(NC(=O)Cc3noc(C)n3)cc2)CC1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is PCRFITQJAYUUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-8-22-9-11-23(12-10-22)16-6-4-15(5-7-16)20-18(24)13-17-19-14(2)25-21-17/h4-7H,3,8-13H2,1-2H3,(H,20,24).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110620977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).