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

C15H18N2O4 — CID 43243859

IUPAC2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
SMILESCC(C)Cc1noc(COc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C15H18N2O4/c1-10(2)7-13-16-14(21-17-13)9-20-12-5-3-11(4-6-12)8-15(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyRCRABEDTBVBGNO-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.47
Rot. Bonds7

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

2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid (PubChem CID 43243859) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
PubChem CID43243859
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
SMILESCC(C)Cc1noc(COc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C15H18N2O4/c1-10(2)7-13-16-14(21-17-13)9-20-12-5-3-11(4-6-12)8-15(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyRCRABEDTBVBGNO-UHFFFAOYSA-N
XLogP2.47
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 47019668
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-(phenoxymethyl)benzoate
CID 55522496
[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
CID 110906702
4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 43504099
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
3-(2-methylpropyl)-5-[(3-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 51081321
2-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079127
N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylacetamide
CID 50765647
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55522143
5-[(5-bromo-3-pyridinyl)oxymethyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 84599493

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid (CID 43243859) is 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid is CC(C)Cc1noc(COc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid?
The InChIKey is RCRABEDTBVBGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(2)7-13-16-14(21-17-13)9-20-12-5-3-11(4-6-12)8-15(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid?
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 43243859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).