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

C19H21N3O5 — CID 6485212

IUPACN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccoc1C
InChIInChI=1S/C19H21N3O5/c1-5-22(19(23)14-8-9-26-12(14)2)11-17-20-18(21-27-17)13-6-7-15(24-3)16(10-13)25-4/h6-10H,5,11H2,1-4H3
InChIKeyNUKYNDRIWROWRC-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.32
Rot. Bonds7

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

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide (PubChem CID 6485212) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
PubChem CID6485212
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccoc1C
InChIInChI=1S/C19H21N3O5/c1-5-22(19(23)14-8-9-26-12(14)2)11-17-20-18(21-27-17)13-6-7-15(24-3)16(10-13)25-4/h6-10H,5,11H2,1-4H3
InChIKeyNUKYNDRIWROWRC-UHFFFAOYSA-N
XLogP3.32
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide (CID 6485212) is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide is CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccoc1C.
What is the InChIKey of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
The InChIKey is NUKYNDRIWROWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-5-22(19(23)14-8-9-26-12(14)2)11-17-20-18(21-27-17)13-6-7-15(24-3)16(10-13)25-4/h6-10H,5,11H2,1-4H3.
What are the key properties of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylfuran-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.32, 7 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-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6485212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).