N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide

C18H23ClN5O3+ — CID 8548389

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C[NH+]1CCNC(=O)C1
InChIInChI=1S/C18H22ClN5O3/c1-12(2)24(17(26)11-23-8-7-20-15(25)9-23)10-16-21-22-18(27-16)13-5-3-4-6-14(13)19/h3-6,12H,7-11H2,1-2H3,(H,20,25)/p+1
InChIKeyRCKGBIXYOHYROQ-UHFFFAOYSA-O
MW392.87 g/mol
LogP0.14
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide (PubChem CID 8548389) has the molecular formula C18H23ClN5O3+ and a molecular weight of 392.87 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide
PubChem CID8548389
Molecular FormulaC18H23ClN5O3+
Molecular Weight392.87 g/mol
Exact Mass392.15
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C[NH+]1CCNC(=O)C1
InChIInChI=1S/C18H22ClN5O3/c1-12(2)24(17(26)11-23-8-7-20-15(25)9-23)10-16-21-22-18(27-16)13-5-3-4-6-14(13)19/h3-6,12H,7-11H2,1-2H3,(H,20,25)/p+1
InChIKeyRCKGBIXYOHYROQ-UHFFFAOYSA-O
XLogP0.14
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 16563213
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
CID 55332761
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 8557942
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 55332629
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-chloro-3-pyridinyl)-N-propan-2-ylacetamide
CID 86933441
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 8890866
4-(4-chloro-3-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbutanamide
CID 112794817
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 51240926
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(4-fluorophenoxy)-N-propan-2-ylbutanamide
CID 78843426
3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 55332563
(3R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-1-oxo-N-propan-2-yl-4H-isochromene-3-carboxamide
CID 25436163
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-phenoxyethoxy)-N-propan-2-ylacetamide
CID 55758153

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide (CID 8548389) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C[NH+]1CCNC(=O)C1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide?
The InChIKey is RCKGBIXYOHYROQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22ClN5O3/c1-12(2)24(17(26)11-23-8-7-20-15(25)9-23)10-16-21-22-18(27-16)13-5-3-4-6-14(13)19/h3-6,12H,7-11H2,1-2H3,(H,20,25)/p+1.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide has a molecular weight of 392.87 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 8548389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).