methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate

C20H17F2N3O5 — CID 51699894

IUPACmethyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1nnc(C(F)(F)c2ccccc2)o1
InChIInChI=1S/C20H17F2N3O5/c1-28-14-10-8-12(9-11-14)16(26)23-15(18(27)29-2)17-24-25-19(30-17)20(21,22)13-6-4-3-5-7-13/h3-11,15H,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyBZTXDSNCGUIOBV-OAHLLOKOSA-N
MW417.37 g/mol
LogP2.86
Rot. Bonds7

About methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate

methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 51699894) has the molecular formula C20H17F2N3O5 and a molecular weight of 417.37 g/mol. Its IUPAC name is methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
PubChem CID51699894
Molecular FormulaC20H17F2N3O5
Molecular Weight417.37 g/mol
Exact Mass417.11
IUPAC Namemethyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1nnc(C(F)(F)c2ccccc2)o1
InChIInChI=1S/C20H17F2N3O5/c1-28-14-10-8-12(9-11-14)16(26)23-15(18(27)29-2)17-24-25-19(30-17)20(21,22)13-6-4-3-5-7-13/h3-11,15H,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyBZTXDSNCGUIOBV-OAHLLOKOSA-N
XLogP2.86
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 56726050
ethyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 51699903
ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 56726055
methyl (2S)-2-[(4-methylbenzoyl)amino]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 39868650
methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725802
ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725807
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
methyl (2S)-2-benzamido-2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]acetate
CID 39835345
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
(4S)-4-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-[(4-phenylbenzoyl)amino]butanoic acid
CID 56670132
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate (CID 51699894) is methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate is COC(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1nnc(C(F)(F)c2ccccc2)o1.
What is the InChIKey of methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is BZTXDSNCGUIOBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17F2N3O5/c1-28-14-10-8-12(9-11-14)16(26)23-15(18(27)29-2)17-24-25-19(30-17)20(21,22)13-6-4-3-5-7-13/h3-11,15H,1-2H3,(H,23,26)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 417.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 51699894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).