4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid

C18H15N3O4 — CID 888626

IUPAC4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H15N3O4/c22-15(9-10-16(23)24)19-14-8-4-7-13(11-14)18-21-20-17(25-18)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)(H,23,24)
InChIKeyWSPMKJFUPPTOCO-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.21
Rot. Bonds6

About 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid

4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid (PubChem CID 888626) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid
PubChem CID888626
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H15N3O4/c22-15(9-10-16(23)24)19-14-8-4-7-13(11-14)18-21-20-17(25-18)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)(H,23,24)
InChIKeyWSPMKJFUPPTOCO-UHFFFAOYSA-N
XLogP3.21
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
2-{3-[5-(4-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanamido}benzoic acid
CID 135800175
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
Methyl 3-({[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
CID 6462123
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
1-[3-(1,3,4-Oxadiazol-2-yl)phenyl]-3-phenylurea
CID 2739470
2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 754945
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 891159
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 976675
3-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoic Acid
CID 1286643

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid?
The IUPAC name of 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid (CID 888626) is 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid?
The canonical SMILES for 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid is O=C(O)CCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid?
The InChIKey is WSPMKJFUPPTOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-15(9-10-16(23)24)19-14-8-4-7-13(11-14)18-21-20-17(25-18)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)(H,23,24).
What are the key properties of 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid?
4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid has a molecular weight of 337.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]butanoic acid is sourced from PubChem (CID 888626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).