4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid

C15H18N2O3 — CID 60912310

IUPAC4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C15H18N2O3/c18-15(19)11-5-10-14-17-16-13(20-14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,18,19)
InChIKeyXLAOUNRNYNEOOH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.65
Rot. Bonds8

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

4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 60912310) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID60912310
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C15H18N2O3/c18-15(19)11-5-10-14-17-16-13(20-14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,18,19)
InChIKeyXLAOUNRNYNEOOH-UHFFFAOYSA-N
XLogP2.65
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 79217137
4-[5-[(3-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 61399896
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
15-phenylpentadecanoic acid
CID 2737151
4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912451
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138167
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929249
5-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 60911711
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 60912310) is 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid is O=C(O)CCCc1nnc(CCCc2ccccc2)o1.
What is the InChIKey of 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is XLAOUNRNYNEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15(19)11-5-10-14-17-16-13(20-14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,18,19).
What are the key properties of 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 60912310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).