N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C18H15N3O4 — CID 136528043

IUPACN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)c3cccc4c3OCCO4)c2)o1
InChIInChI=1S/C18H15N3O4/c1-11-20-21-18(25-11)12-4-2-5-13(10-12)19-17(22)14-6-3-7-15-16(14)24-9-8-23-15/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyNNPNNPRSIBVTPY-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.07
Rot. Bonds3

About N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 136528043) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID136528043
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)c3cccc4c3OCCO4)c2)o1
InChIInChI=1S/C18H15N3O4/c1-11-20-21-18(25-11)12-4-2-5-13(10-12)19-17(22)14-6-3-7-15-16(14)24-9-8-23-15/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyNNPNNPRSIBVTPY-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

Analyze N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide with MolForge

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Related Compounds

methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114307285
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693289
N-[3-[(1S)-1-methoxyethyl]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95302089
2-methyl-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2993930
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928
N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614559
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773243

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 136528043) is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is Cc1nnc(-c2cccc(NC(=O)c3cccc4c3OCCO4)c2)o1.
What is the InChIKey of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is NNPNNPRSIBVTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11-20-21-18(25-11)12-4-2-5-13(10-12)19-17(22)14-6-3-7-15-16(14)24-9-8-23-15/h2-7,10H,8-9H2,1H3,(H,19,22).
What are the key properties of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide 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-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 136528043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).