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

C16H20FN3O4 — CID 72909278

IUPAC2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCOc1ccc(F)c(C(C(=O)O)N(C)Cc2nc(C(C)C)no2)c1
InChIInChI=1S/C16H20FN3O4/c1-9(2)15-18-13(24-19-15)8-20(3)14(16(21)22)11-7-10(23-4)5-6-12(11)17/h5-7,9,14H,8H2,1-4H3,(H,21,22)
InChIKeyOEUSFUMSXHMXPN-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.60
Rot. Bonds7

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

2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (PubChem CID 72909278) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
PubChem CID72909278
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCOc1ccc(F)c(C(C(=O)O)N(C)Cc2nc(C(C)C)no2)c1
InChIInChI=1S/C16H20FN3O4/c1-9(2)15-18-13(24-19-15)8-20(3)14(16(21)22)11-7-10(23-4)5-6-12(11)17/h5-7,9,14H,8H2,1-4H3,(H,21,22)
InChIKeyOEUSFUMSXHMXPN-UHFFFAOYSA-N
XLogP2.60
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid with MolForge

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Related Compounds

(2S)-2-(2-ethoxy-3-pyridinyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 97186887
(2S)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 97207243
2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 72925892
(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94104056
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
CID 60721009
2-(5-chloro-2-methoxyphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetic acid
CID 72895273
2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
CID 114843777
5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 61379423
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 3164331
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (CID 72909278) is 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is COc1ccc(F)c(C(C(=O)O)N(C)Cc2nc(C(C)C)no2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The InChIKey is OEUSFUMSXHMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-9(2)15-18-13(24-19-15)8-20(3)14(16(21)22)11-7-10(23-4)5-6-12(11)17/h5-7,9,14H,8H2,1-4H3,(H,21,22).
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid has a molecular weight of 337.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 72909278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).