methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate

C19H16ClN3O4 — CID 110334547

IUPACmethyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H16ClN3O4/c1-26-19(25)13-7-3-5-9-15(13)21-16(24)10-11-17-22-23-18(27-17)12-6-2-4-8-14(12)20/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyQYXWDHWEZBBLRY-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.75
Rot. Bonds6

About methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate

methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate (PubChem CID 110334547) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
PubChem CID110334547
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Namemethyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H16ClN3O4/c1-26-19(25)13-7-3-5-9-15(13)21-16(24)10-11-17-22-23-18(27-17)12-6-2-4-8-14(12)20/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyQYXWDHWEZBBLRY-UHFFFAOYSA-N
XLogP3.75
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334549
N-(2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334805
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110334461
N-(3-chlorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334527
N-(3-chloro-4-fluorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334529
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391348
N-(5-chloro-2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334804
methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424083
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110334555
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110334494
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate (CID 110334547) is methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The InChIKey is QYXWDHWEZBBLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-26-19(25)13-7-3-5-9-15(13)21-16(24)10-11-17-22-23-18(27-17)12-6-2-4-8-14(12)20/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate has a molecular weight of 385.81 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate is sourced from PubChem (CID 110334547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).