methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate

C22H23N3O4 — CID 23724061

IUPACmethyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate
SMILESCOC(=O)CCCNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H23N3O4/c1-28-21(27)8-5-15-23-19(26)13-14-20-24-25-22(29-20)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,23,26)
InChIKeyTYZIPBXUQSFGPF-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.41
Rot. Bonds9

About methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate

methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate (PubChem CID 23724061) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate
PubChem CID23724061
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namemethyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate
SMILESCOC(=O)CCCNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H23N3O4/c1-28-21(27)8-5-15-23-19(26)13-14-20-24-25-22(29-20)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,23,26)
InChIKeyTYZIPBXUQSFGPF-UHFFFAOYSA-N
XLogP3.41
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate with MolForge

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Related Compounds

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
N-(3-hydroxypropyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 11484931
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078793
N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
CID 21078794
2-Methyl-5-{4-methyl-3-[4-(piperidin-1-ylcarbonyl)phenyl]phenyl}-1,3,4-oxadiazole
CID 25093468
1-[3-(5-Biphenyl-4-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine
CID 16187288
N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16188925
N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192128
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 25093467
N-(2,6-difluorobenzyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16188355

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate?
The IUPAC name of methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate (CID 23724061) is methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate.
What is the SMILES notation for methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate?
The canonical SMILES for methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate is COC(=O)CCCNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate?
The InChIKey is TYZIPBXUQSFGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-21(27)8-5-15-23-19(26)13-14-20-24-25-22(29-20)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,23,26).
What are the key properties of methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate?
methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate has a molecular weight of 393.44 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]butanoate is sourced from PubChem (CID 23724061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).