methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate

C17H16FN5O3 — CID 143567541

IUPACmethyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate
SMILESCOC(=O)CNc1nnc(-c2ccncc2Nc2ccc(C)cc2F)o1
InChIInChI=1S/C17H16FN5O3/c1-10-3-4-13(12(18)7-10)21-14-8-19-6-5-11(14)16-22-23-17(26-16)20-9-15(24)25-2/h3-8,21H,9H2,1-2H3,(H,20,23)
InChIKeyORBVQOTWCVALDD-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.91
Rot. Bonds6

About methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate

methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate (PubChem CID 143567541) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate
PubChem CID143567541
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Namemethyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate
SMILESCOC(=O)CNc1nnc(-c2ccncc2Nc2ccc(C)cc2F)o1
InChIInChI=1S/C17H16FN5O3/c1-10-3-4-13(12(18)7-10)21-14-8-19-6-5-11(14)16-22-23-17(26-16)20-9-15(24)25-2/h3-8,21H,9H2,1-2H3,(H,20,23)
InChIKeyORBVQOTWCVALDD-UHFFFAOYSA-N
XLogP2.91
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate with MolForge

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Related Compounds

[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid
CID 141187122
2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-methylamino]propanoic acid
CID 143567491
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine
CID 143567494
5-[3-(4-bromo-2-methylanilino)-4-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine;ethene
CID 143220475
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174678
4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174690
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate (CID 143567541) is methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate is COC(=O)CNc1nnc(-c2ccncc2Nc2ccc(C)cc2F)o1.
What is the InChIKey of methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate?
The InChIKey is ORBVQOTWCVALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-10-3-4-13(12(18)7-10)21-14-8-19-6-5-11(14)16-22-23-17(26-16)20-9-15(24)25-2/h3-8,21H,9H2,1-2H3,(H,20,23).
What are the key properties of methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate?
methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate has a molecular weight of 357.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate is sourced from PubChem (CID 143567541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).