4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid

C16H14N2O3 — CID 121258177

IUPAC4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(C2=NC(Cc3ccccc3)ON2)cc1
InChIInChI=1S/C16H14N2O3/c19-16(20)13-8-6-12(7-9-13)15-17-14(21-18-15)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)(H,19,20)
InChIKeyFAOLROWWDOHXSV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.23
Rot. Bonds4

About 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid

4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 121258177) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID121258177
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(C2=NC(Cc3ccccc3)ON2)cc1
InChIInChI=1S/C16H14N2O3/c19-16(20)13-8-6-12(7-9-13)15-17-14(21-18-15)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)(H,19,20)
InChIKeyFAOLROWWDOHXSV-UHFFFAOYSA-N
XLogP2.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 89329101
amino 4-[5-(3-bromopropyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoate
CID 143557078
5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one
CID 13293995
benzoic acid;phenylmethanol
CID 175191007
3-[5-[4-(chloromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 129215054
3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 126581922
potassium;hydride;4-phenylbenzoic acid
CID 173045180
sodium;hydride;4-phenylbenzoic acid
CID 173392993
ethane;4-phenylbenzoic acid;propane
CID 156791718
4-phenylmethoxybenzoic acid
CID 68896574
3-[[4-[5-(4-cyclohexylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methylamino]benzoic acid
CID 91158594
benzoic acid;copper;dihydrate
CID 91886363

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid (CID 121258177) is 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid is O=C(O)c1ccc(C2=NC(Cc3ccccc3)ON2)cc1.
What is the InChIKey of 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is FAOLROWWDOHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(20)13-8-6-12(7-9-13)15-17-14(21-18-15)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)(H,19,20).
What are the key properties of 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid?
4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 121258177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).