4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide

C21H21N5O4 — CID 38929121

IUPAC4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N5O4/c27-19(14-29-18-8-6-16(7-9-18)20-24-22-15-30-20)25-10-12-26(13-11-25)21(28)23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,23,28)
InChIKeyDYZZYZAPXWBXIS-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.49
Rot. Bonds5

About 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide

4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 38929121) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID38929121
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N5O4/c27-19(14-29-18-8-6-16(7-9-18)20-24-22-15-30-20)25-10-12-26(13-11-25)21(28)23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,23,28)
InChIKeyDYZZYZAPXWBXIS-UHFFFAOYSA-N
XLogP2.49
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9171463
N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
CID 38905055
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 51726338
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318572
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743
N-(benzylcarbamoyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555973
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide (CID 38929121) is 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide is O=C(COc1ccc(-c2nnco2)cc1)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is DYZZYZAPXWBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c27-19(14-29-18-8-6-16(7-9-18)20-24-22-15-30-20)25-10-12-26(13-11-25)21(28)23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,23,28).
What are the key properties of 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 38929121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).