5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide

C17H12ClN3O4 — CID 110391475

IUPAC5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H12ClN3O4/c18-11-3-1-2-10(8-11)16-20-21-17(25-16)15(22)19-12-4-5-13-14(9-12)24-7-6-23-13/h1-5,8-9H,6-7H2,(H,19,22)
InChIKeyDPXWGTWVYLJMRC-UHFFFAOYSA-N
MW357.75 g/mol
LogP3.41
Rot. Bonds3

About 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide

5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391475) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391475
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Name5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H12ClN3O4/c18-11-3-1-2-10(8-11)16-20-21-17(25-16)15(22)19-12-4-5-13-14(9-12)24-7-6-23-13/h1-5,8-9H,6-7H2,(H,19,22)
InChIKeyDPXWGTWVYLJMRC-UHFFFAOYSA-N
XLogP3.41
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391484
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457
N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392521
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391340
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392752
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391442
N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109220965
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693289
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56923008
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334407
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide (CID 110391475) is 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DPXWGTWVYLJMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c18-11-3-1-2-10(8-11)16-20-21-17(25-16)15(22)19-12-4-5-13-14(9-12)24-7-6-23-13/h1-5,8-9H,6-7H2,(H,19,22).
What are the key properties of 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 357.75 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).