N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide

C20H29N5O2 — CID 55629971

IUPACN,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1
InChIInChI=1S/C20H29N5O2/c1-4-25(5-2)19(26)15-24-12-10-23(11-13-24)14-18-21-22-20(27-18)17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3
InChIKeyJIISDHRELINYMO-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.03
Rot. Bonds7

About N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 55629971) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID55629971
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1
InChIInChI=1S/C20H29N5O2/c1-4-25(5-2)19(26)15-24-12-10-23(11-13-24)14-18-21-22-20(27-18)17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3
InChIKeyJIISDHRELINYMO-UHFFFAOYSA-N
XLogP2.03
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 55629971) is N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is JIISDHRELINYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-25(5-2)19(26)15-24-12-10-23(11-13-24)14-18-21-22-20(27-18)17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55629971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).