N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C18H15N3O4 — CID 110693289

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)o1
InChIInChI=1S/C18H15N3O4/c1-11-20-21-18(25-11)13-4-2-12(3-5-13)17(22)19-14-6-7-15-16(10-14)24-9-8-23-15/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyZFLQRNQOYVDOBH-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.07
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 110693289) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID110693289
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)o1
InChIInChI=1S/C18H15N3O4/c1-11-20-21-18(25-11)13-4-2-12(3-5-13)17(22)19-14-6-7-15-16(10-14)24-9-8-23-15/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyZFLQRNQOYVDOBH-UHFFFAOYSA-N
XLogP3.07
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53010752
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 15994544
4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4591135
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 4319364
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5240164
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702324
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 110693289) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ZFLQRNQOYVDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11-20-21-18(25-11)13-4-2-12(3-5-13)17(22)19-14-6-7-15-16(10-14)24-9-8-23-15/h2-7,10H,8-9H2,1H3,(H,19,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 110693289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).