2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid

C14H16N2O4 — CID 61495355

IUPAC2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
SMILESCCCc1nc(COc2cccc(CC(=O)O)c2)no1
InChIInChI=1S/C14H16N2O4/c1-2-4-13-15-12(16-20-13)9-19-11-6-3-5-10(7-11)8-14(17)18/h3,5-7H,2,4,8-9H2,1H3,(H,17,18)
InChIKeyQKLJUQNDSAMPNP-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.23
Rot. Bonds7

About 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid

2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid (PubChem CID 61495355) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
PubChem CID61495355
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
SMILESCCCc1nc(COc2cccc(CC(=O)O)c2)no1
InChIInChI=1S/C14H16N2O4/c1-2-4-13-15-12(16-20-13)9-19-11-6-3-5-10(7-11)8-14(17)18/h3,5-7H,2,4,8-9H2,1H3,(H,17,18)
InChIKeyQKLJUQNDSAMPNP-UHFFFAOYSA-N
XLogP2.23
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61495422
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61496904
2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
CID 61398198
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 60881291
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid (CID 61495355) is 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid is CCCc1nc(COc2cccc(CC(=O)O)c2)no1.
What is the InChIKey of 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
The InChIKey is QKLJUQNDSAMPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-4-13-15-12(16-20-13)9-19-11-6-3-5-10(7-11)8-14(17)18/h3,5-7H,2,4,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid has a molecular weight of 276.29 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 61495355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).