2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide

C18H18N4O6 — CID 72858622

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)n1
InChIInChI=1S/C18H18N4O6/c1-3-15-20-16(28-21-15)7-22(2)18(23)12-8-25-17(19-12)9-24-11-4-5-13-14(6-11)27-10-26-13/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyVZRSBYGHUYRVAC-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.20
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide

2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 72858622) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID72858622
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)n1
InChIInChI=1S/C18H18N4O6/c1-3-15-20-16(28-21-15)7-22(2)18(23)12-8-25-17(19-12)9-24-11-4-5-13-14(6-11)27-10-26-13/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyVZRSBYGHUYRVAC-UHFFFAOYSA-N
XLogP2.20
TPSA112.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(1,3-benzodioxol-5-yloxymethyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide
CID 42460835
2-(1,3-benzodioxol-5-yloxymethyl)-N,N-dipropyl-1,3-oxazole-4-carboxamide
CID 72923758
2-(1,3-benzodioxol-5-yloxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 25377105
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56713168
2-[(4-chlorophenoxy)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 56509311
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 25395754
(2S)-1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]-N-ethylpyrrolidine-2-carboxamide
CID 72863659
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 97146184
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56702227
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 176989335
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
2-(1,3-benzodioxol-5-yloxymethyl)-N-(1-phenylcyclopropyl)-1,3-oxazole-4-carboxamide
CID 25372022

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 72858622) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide is CCc1noc(CN(C)C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is VZRSBYGHUYRVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6/c1-3-15-20-16(28-21-15)7-22(2)18(23)12-8-25-17(19-12)9-24-11-4-5-13-14(6-11)27-10-26-13/h4-6,8H,3,7,9-10H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72858622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).