N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C22H19N3O3 — CID 34907635

IUPACN-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2)n1
InChIInChI=1S/C22H19N3O3/c1-16-23-21(28-24-16)18-9-11-19(12-10-18)22(26)25(15-20-8-5-13-27-20)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyLBYSHPRXCKXMCK-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.48
Rot. Bonds6

About N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 34907635) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID34907635
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2)n1
InChIInChI=1S/C22H19N3O3/c1-16-23-21(28-24-16)18-9-11-19(12-10-18)22(26)25(15-20-8-5-13-27-20)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyLBYSHPRXCKXMCK-UHFFFAOYSA-N
XLogP4.48
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide
CID 55531278
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 5166760
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
CID 37429508

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 34907635) is N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2)n1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is LBYSHPRXCKXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-16-23-21(28-24-16)18-9-11-19(12-10-18)22(26)25(15-20-8-5-13-27-20)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 373.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 34907635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).