N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H13N3O5 — CID 4649009

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)C3=COCCO3)o2)cc1
InChIInChI=1S/C14H13N3O5/c1-19-10-4-2-9(3-5-10)13-16-17-14(22-13)15-12(18)11-8-20-6-7-21-11/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyLESPLNSPBCHVNH-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.57
Rot. Bonds4

About N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 4649009) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID4649009
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)C3=COCCO3)o2)cc1
InChIInChI=1S/C14H13N3O5/c1-19-10-4-2-9(3-5-10)13-16-17-14(22-13)15-12(18)11-8-20-6-7-21-11/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyLESPLNSPBCHVNH-UHFFFAOYSA-N
XLogP1.57
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 679504
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 2566808
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]butanamide
CID 5058055
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
CID 7814111
5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 2369673
3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 691744
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 2104218
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 2123627
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
Ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate
CID 2127533
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
CID 2127774

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 4649009) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1ccc(-c2nnc(NC(=O)C3=COCCO3)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is LESPLNSPBCHVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-19-10-4-2-9(3-5-10)13-16-17-14(22-13)15-12(18)11-8-20-6-7-21-11/h2-5,8H,6-7H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 4649009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).