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

C17H19N3O5 — CID 119224703

IUPAC2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CCCc2nc(C3CC3)no2)c1
InChIInChI=1S/C17H19N3O5/c21-14(5-2-6-15-19-17(20-25-15)11-7-8-11)18-12-3-1-4-13(9-12)24-10-16(22)23/h1,3-4,9,11H,2,5-8,10H2,(H,18,21)(H,22,23)
InChIKeyLHJIKPQMWCWXMS-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.37
Rot. Bonds9

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

2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid (PubChem CID 119224703) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid
PubChem CID119224703
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CCCc2nc(C3CC3)no2)c1
InChIInChI=1S/C17H19N3O5/c21-14(5-2-6-15-19-17(20-25-15)11-7-8-11)18-12-3-1-4-13(9-12)24-10-16(22)23/h1,3-4,9,11H,2,5-8,10H2,(H,18,21)(H,22,23)
InChIKeyLHJIKPQMWCWXMS-UHFFFAOYSA-N
XLogP2.37
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
CID 119246497
2-chloro-4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid
CID 119178934
N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119419525
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
CID 119224688
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454
2-[3-[4-(propan-2-ylamino)butanoylamino]phenoxy]acetic acid
CID 63771165
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid (CID 119224703) is 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)CCCc2nc(C3CC3)no2)c1.
What is the InChIKey of 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid?
The InChIKey is LHJIKPQMWCWXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-14(5-2-6-15-19-17(20-25-15)11-7-8-11)18-12-3-1-4-13(9-12)24-10-16(22)23/h1,3-4,9,11H,2,5-8,10H2,(H,18,21)(H,22,23).
What are the key properties of 2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid?
2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 2.37, 9 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]phenoxy]acetic acid is sourced from PubChem (CID 119224703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).