2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid

C19H14FN3O4 — CID 56770586

IUPAC2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
SMILESCOc1ccc(-c2noc(-c3cc4ccccc4n3CC(=O)O)n2)cc1F
InChIInChI=1S/C19H14FN3O4/c1-26-16-7-6-12(8-13(16)20)18-21-19(27-22-18)15-9-11-4-2-3-5-14(11)23(15)10-17(24)25/h2-9H,10H2,1H3,(H,24,25)
InChIKeyZFEDFVWCNUTXPT-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.59
Rot. Bonds5

About 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid

2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid (PubChem CID 56770586) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
PubChem CID56770586
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
SMILESCOc1ccc(-c2noc(-c3cc4ccccc4n3CC(=O)O)n2)cc1F
InChIInChI=1S/C19H14FN3O4/c1-26-16-7-6-12(8-13(16)20)18-21-19(27-22-18)15-9-11-4-2-3-5-14(11)23(15)10-17(24)25/h2-9H,10H2,1H3,(H,24,25)
InChIKeyZFEDFVWCNUTXPT-UHFFFAOYSA-N
XLogP3.59
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
CID 56770475
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035
N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527043
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
CID 75527148
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 56770588
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
4-methoxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 54391138

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
The IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid (CID 56770586) is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid is COc1ccc(-c2noc(-c3cc4ccccc4n3CC(=O)O)n2)cc1F.
What is the InChIKey of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
The InChIKey is ZFEDFVWCNUTXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c1-26-16-7-6-12(8-13(16)20)18-21-19(27-22-18)15-9-11-4-2-3-5-14(11)23(15)10-17(24)25/h2-9H,10H2,1H3,(H,24,25).
What are the key properties of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid has a molecular weight of 367.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid is sourced from PubChem (CID 56770586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).