2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid

C18H21N3O5 — CID 119246497

IUPAC2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)CCCc2nc(C3CC3)no2)c1
InChIInChI=1S/C18H21N3O5/c22-15(5-2-6-16-20-18(21-26-16)13-7-8-13)19-10-12-3-1-4-14(9-12)25-11-17(23)24/h1,3-4,9,13H,2,5-8,10-11H2,(H,19,22)(H,23,24)
InChIKeyCAAZZGXPKURIKQ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.05
Rot. Bonds10

About 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid

2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid (PubChem CID 119246497) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
PubChem CID119246497
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)CCCc2nc(C3CC3)no2)c1
InChIInChI=1S/C18H21N3O5/c22-15(5-2-6-16-20-18(21-26-16)13-7-8-13)19-10-12-3-1-4-14(9-12)25-11-17(23)24/h1,3-4,9,13H,2,5-8,10-11H2,(H,19,22)(H,23,24)
InChIKeyCAAZZGXPKURIKQ-UHFFFAOYSA-N
XLogP2.05
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110561
benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
CID 75372856
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
2-[3-[[3-[(2R,5R)-5-methyloxolan-2-yl]propanoylamino]methyl]phenoxy]acetic acid
CID 125131693
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410
2-[3-[[3-(1-methylpyrazol-4-yl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246619
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 90649458
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
CID 86836663
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
2-[3-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246779
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid (CID 119246497) is 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)CCCc2nc(C3CC3)no2)c1.
What is the InChIKey of 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid?
The InChIKey is CAAZZGXPKURIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-15(5-2-6-16-20-18(21-26-16)13-7-8-13)19-10-12-3-1-4-14(9-12)25-11-17(23)24/h1,3-4,9,13H,2,5-8,10-11H2,(H,19,22)(H,23,24).
What are the key properties of 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid?
2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid has a molecular weight of 359.38 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).