N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

C22H27N3O3 — CID 26404535

IUPACN-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CCc1nnc(-c2cc(C)oc2C)o1
InChIInChI=1S/C22H27N3O3/c1-4-5-13-25(15-18-9-7-6-8-10-18)21(26)12-11-20-23-24-22(28-20)19-14-16(2)27-17(19)3/h6-10,14H,4-5,11-13,15H2,1-3H3
InChIKeyANHQPMPLVZEPFA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.71
Rot. Bonds9

About N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 26404535) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID26404535
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CCc1nnc(-c2cc(C)oc2C)o1
InChIInChI=1S/C22H27N3O3/c1-4-5-13-25(15-18-9-7-6-8-10-18)21(26)12-11-20-23-24-22(28-20)19-14-16(2)27-17(19)3/h6-10,14H,4-5,11-13,15H2,1-3H3
InChIKeyANHQPMPLVZEPFA-UHFFFAOYSA-N
XLogP4.71
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
CID 55599969
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 24791038
N-benzyl-N-(2-hydroxyethyl)-3-[5-[(R)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 26396186
N-benzyl-N-(2-hydroxyethyl)-3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 45247454
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 26404535) is N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is CCCCN(Cc1ccccc1)C(=O)CCc1nnc(-c2cc(C)oc2C)o1.
What is the InChIKey of N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ANHQPMPLVZEPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-5-13-25(15-18-9-7-6-8-10-18)21(26)12-11-20-23-24-22(28-20)19-14-16(2)27-17(19)3/h6-10,14H,4-5,11-13,15H2,1-3H3.
What are the key properties of N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 26404535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).