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

C14H16N2O5 — CID 61495281

IUPAC4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
SMILESCCCc1nc(COc2cc(C(=O)O)ccc2OC)no1
InChIInChI=1S/C14H16N2O5/c1-3-4-13-15-12(16-21-13)8-20-11-7-9(14(17)18)5-6-10(11)19-2/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMPRSJVRDLAIMIS-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.31
Rot. Bonds7

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

4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid (PubChem CID 61495281) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
PubChem CID61495281
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
SMILESCCCc1nc(COc2cc(C(=O)O)ccc2OC)no1
InChIInChI=1S/C14H16N2O5/c1-3-4-13-15-12(16-21-13)8-20-11-7-9(14(17)18)5-6-10(11)19-2/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMPRSJVRDLAIMIS-UHFFFAOYSA-N
XLogP2.31
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 28782613
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 61320368
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 60721889
[6-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79157639
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309
3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
CID 76905301
N-[[3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045842
3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82912805
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320135

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid?
The IUPAC name of 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid (CID 61495281) is 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid is CCCc1nc(COc2cc(C(=O)O)ccc2OC)no1.
What is the InChIKey of 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid?
The InChIKey is MPRSJVRDLAIMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-3-4-13-15-12(16-21-13)8-20-11-7-9(14(17)18)5-6-10(11)19-2/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid?
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid is sourced from PubChem (CID 61495281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).