methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate

C16H20FN3O3 — CID 99784787

IUPACmethyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate
SMILESCCCc1noc(CN[C@@H](C(=O)OC)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H20FN3O3/c1-4-5-13-19-14(23-20-13)9-18-15(16(21)22-3)11-6-7-12(17)10(2)8-11/h6-8,15,18H,4-5,9H2,1-3H3/t15-/m1/s1
InChIKeyJIBCCLFULGEUFP-OAHLLOKOSA-N
MW321.35 g/mol
LogP2.47
Rot. Bonds7

About methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate

methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate (PubChem CID 99784787) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate
PubChem CID99784787
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Namemethyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate
SMILESCCCc1noc(CN[C@@H](C(=O)OC)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H20FN3O3/c1-4-5-13-19-14(23-20-13)9-18-15(16(21)22-3)11-6-7-12(17)10(2)8-11/h6-8,15,18H,4-5,9H2,1-3H3/t15-/m1/s1
InChIKeyJIBCCLFULGEUFP-OAHLLOKOSA-N
XLogP2.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate?
The IUPAC name of methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate (CID 99784787) is methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate.
What is the SMILES notation for methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate?
The canonical SMILES for methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate is CCCc1noc(CN[C@@H](C(=O)OC)c2ccc(F)c(C)c2)n1.
What is the InChIKey of methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate?
The InChIKey is JIBCCLFULGEUFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-4-5-13-19-14(23-20-13)9-18-15(16(21)22-3)11-6-7-12(17)10(2)8-11/h6-8,15,18H,4-5,9H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate?
methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate has a molecular weight of 321.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate is sourced from PubChem (CID 99784787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).