N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide

C23H27N3O5 — CID 8779231

IUPACN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide
SMILESCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C23H27N3O5/c1-6-26(23(27)17-8-7-9-18(12-17)30-15(2)3)14-21-24-22(25-31-21)16-10-11-19(28-4)20(13-16)29-5/h7-13,15H,6,14H2,1-5H3
InChIKeyOJHVUUQOUVBVTI-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.20
Rot. Bonds9

About N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide (PubChem CID 8779231) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide
PubChem CID8779231
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide
SMILESCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C23H27N3O5/c1-6-26(23(27)17-8-7-9-18(12-17)30-15(2)3)14-21-24-22(25-31-21)16-10-11-19(28-4)20(13-16)29-5/h7-13,15H,6,14H2,1-5H3
InChIKeyOJHVUUQOUVBVTI-UHFFFAOYSA-N
XLogP4.20
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-methylbenzamide
CID 6494655
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylfuran-2-carboxamide
CID 6485239
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-propan-2-yloxybenzamide
CID 8779213
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 6494708
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenoxy)acetamide
CID 6494754
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide
CID 6494839
(2S)-2-(3-chlorophenoxy)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8875176
(2S)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 8875217
3,4-dimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 3164333
N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethyl-N-propan-2-ylbenzamide
CID 6494890

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide?
The IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide (CID 8779231) is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide is CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide?
The InChIKey is OJHVUUQOUVBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-6-26(23(27)17-8-7-9-18(12-17)30-15(2)3)14-21-24-22(25-31-21)16-10-11-19(28-4)20(13-16)29-5/h7-13,15H,6,14H2,1-5H3.
What are the key properties of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide?
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide has a molecular weight of 425.49 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 8779231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).