N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide

C22H19N3O4 — CID 35521988

IUPACN-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide
SMILESCCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccoc4C)c3)no2)cc1
InChIInChI=1S/C22H19N3O4/c1-3-27-18-9-7-15(8-10-18)22-24-20(25-29-22)16-5-4-6-17(13-16)23-21(26)19-11-12-28-14(19)2/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyRCEYHLMCGXPXHG-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.96
Rot. Bonds6

About N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide

N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 35521988) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID35521988
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide
SMILESCCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccoc4C)c3)no2)cc1
InChIInChI=1S/C22H19N3O4/c1-3-27-18-9-7-15(8-10-18)22-24-20(25-29-22)16-5-4-6-17(13-16)23-21(26)19-11-12-28-14(19)2/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyRCEYHLMCGXPXHG-UHFFFAOYSA-N
XLogP4.96
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778295
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266949
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
2-ethoxy-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041700
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide (CID 35521988) is N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide is CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccoc4C)c3)no2)cc1.
What is the InChIKey of N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is RCEYHLMCGXPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-3-27-18-9-7-15(8-10-18)22-24-20(25-29-22)16-5-4-6-17(13-16)23-21(26)19-11-12-28-14(19)2/h4-13H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide?
N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 35521988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).