methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate

C13H11F2N3O4 — CID 56725802

IUPACmethyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)c1nnc(C(F)F)o1
InChIInChI=1S/C13H11F2N3O4/c1-21-13(20)8(11-17-18-12(22-11)9(14)15)16-10(19)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,16,19)
InChIKeyJHSNKUHQKHXDHR-UHFFFAOYSA-N
MW311.24 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate

methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 56725802) has the molecular formula C13H11F2N3O4 and a molecular weight of 311.24 g/mol. Its IUPAC name is methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
PubChem CID56725802
Molecular FormulaC13H11F2N3O4
Molecular Weight311.24 g/mol
Exact Mass311.07
IUPAC Namemethyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)c1nnc(C(F)F)o1
InChIInChI=1S/C13H11F2N3O4/c1-21-13(20)8(11-17-18-12(22-11)9(14)15)16-10(19)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,16,19)
InChIKeyJHSNKUHQKHXDHR-UHFFFAOYSA-N
XLogP1.65
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 51699894
ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725807
methyl (2S)-2-[(4-methylbenzoyl)amino]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 39868650
methyl (2S)-2-benzamidopropanoate
CID 6364617
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 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592
methyl (2S)-2-benzamido-2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]acetate
CID 39835345

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate (CID 56725802) is methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate is COC(=O)C(NC(=O)c1ccccc1)c1nnc(C(F)F)o1.
What is the InChIKey of methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is JHSNKUHQKHXDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O4/c1-21-13(20)8(11-17-18-12(22-11)9(14)15)16-10(19)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,16,19).
What are the key properties of methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 311.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 56725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).