N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C25H25N3O4 — CID 55661087

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cccc(COCc4ccco4)c3)o2)cc1
InChIInChI=1S/C25H25N3O4/c1-18-7-9-21(10-8-18)25-28-27-24(32-25)12-11-23(29)26-15-19-4-2-5-20(14-19)16-30-17-22-6-3-13-31-22/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,29)
InChIKeyLAVFYIHPCWCMLZ-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.60
Rot. Bonds10

About N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 55661087) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID55661087
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cccc(COCc4ccco4)c3)o2)cc1
InChIInChI=1S/C25H25N3O4/c1-18-7-9-21(10-8-18)25-28-27-24(32-25)12-11-23(29)26-15-19-4-2-5-20(14-19)16-30-17-22-6-3-13-31-22/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,29)
InChIKeyLAVFYIHPCWCMLZ-UHFFFAOYSA-N
XLogP4.60
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 46442159
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46401361
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 55661087) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCc3cccc(COCc4ccco4)c3)o2)cc1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is LAVFYIHPCWCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-18-7-9-21(10-8-18)25-28-27-24(32-25)12-11-23(29)26-15-19-4-2-5-20(14-19)16-30-17-22-6-3-13-31-22/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,29).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 431.49 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 55661087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).