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

C16H17N3O4 — CID 43973804

IUPACN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCc1ccc(Cc2nnc(NC(=O)C3=COCCO3)o2)cc1
InChIInChI=1S/C16H17N3O4/c1-2-11-3-5-12(6-4-11)9-14-18-19-16(23-14)17-15(20)13-10-21-7-8-22-13/h3-6,10H,2,7-9H2,1H3,(H,17,19,20)
InChIKeyIPYOGXVEZZFZHG-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.05
Rot. Bonds5

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

N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 43973804) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID43973804
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCc1ccc(Cc2nnc(NC(=O)C3=COCCO3)o2)cc1
InChIInChI=1S/C16H17N3O4/c1-2-11-3-5-12(6-4-11)9-14-18-19-16(23-14)17-15(20)13-10-21-7-8-22-13/h3-6,10H,2,7-9H2,1H3,(H,17,19,20)
InChIKeyIPYOGXVEZZFZHG-UHFFFAOYSA-N
XLogP2.05
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 41179182
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 43973761
4-acetyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973731
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
methyl 4-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973752
3-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973710
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43973690
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 43973679
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
CID 43973703
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanamide
CID 43973771
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973728
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 43973925

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 43973804) is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCc1ccc(Cc2nnc(NC(=O)C3=COCCO3)o2)cc1.
What is the InChIKey of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is IPYOGXVEZZFZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-2-11-3-5-12(6-4-11)9-14-18-19-16(23-14)17-15(20)13-10-21-7-8-22-13/h3-6,10H,2,7-9H2,1H3,(H,17,19,20).
What are the key properties of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 43973804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).