N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide

C15H15N3O5 — CID 4638239

IUPACN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1
InChIInChI=1S/C15H15N3O5/c1-2-21-11-5-3-10(4-6-11)13(19)16-15-18-17-14(23-15)12-9-20-7-8-22-12/h3-6,9H,2,7-8H2,1H3,(H,16,18,19)
InChIKeyLNPLRCBTGKMBAL-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.07
Rot. Bonds5

About N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide

N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide (PubChem CID 4638239) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
PubChem CID4638239
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1
InChIInChI=1S/C15H15N3O5/c1-2-21-11-5-3-10(4-6-11)13(19)16-15-18-17-14(23-15)12-9-20-7-8-22-12/h3-6,9H,2,7-8H2,1H3,(H,16,18,19)
InChIKeyLNPLRCBTGKMBAL-UHFFFAOYSA-N
XLogP2.07
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-methylbenzamide
CID 4462598
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
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
CID 2127774
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4228398
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 4425060
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4649009
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4656855
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 5139424
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 25163403
N-(5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl)-4-methoxybenzamide
CID 4086968

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide (CID 4638239) is N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The InChIKey is LNPLRCBTGKMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-2-21-11-5-3-10(4-6-11)13(19)16-15-18-17-14(23-15)12-9-20-7-8-22-12/h3-6,9H,2,7-8H2,1H3,(H,16,18,19).
What are the key properties of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide has a molecular weight of 317.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 4638239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).