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

C21H23N5O2 — CID 31691706

IUPACN-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccccc1
InChIInChI=1S/C21H23N5O2/c27-19(22-18-9-5-2-6-10-18)15-25-11-13-26(14-12-25)16-20-23-24-21(28-20)17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,27)
InChIKeyPABSBEUVZZHPSH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.49
Rot. Bonds6

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

N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 31691706) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID31691706
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccccc1
InChIInChI=1S/C21H23N5O2/c27-19(22-18-9-5-2-6-10-18)15-25-11-13-26(14-12-25)16-20-23-24-21(28-20)17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,27)
InChIKeyPABSBEUVZZHPSH-UHFFFAOYSA-N
XLogP2.49
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 9434359
N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 33202572
2-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164879
N-(2-ethylphenyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 55364718
2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711267
1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 46405367
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 55629971
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
2-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30666212
2-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34921988

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 31691706) is N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is PABSBEUVZZHPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(22-18-9-5-2-6-10-18)15-25-11-13-26(14-12-25)16-20-23-24-21(28-20)17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,27).
What are the key properties of N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide?
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31691706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).