N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide

C19H15N3O3 — CID 53104839

IUPACN-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2noc(C(=O)NCc3ccccc3)n2)oc2ccccc12
InChIInChI=1S/C19H15N3O3/c1-12-14-9-5-6-10-15(14)24-16(12)17-21-19(25-22-17)18(23)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyWWPDJMQQFVCFOJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.72
Rot. Bonds4

About N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide

N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53104839) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53104839
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2noc(C(=O)NCc3ccccc3)n2)oc2ccccc12
InChIInChI=1S/C19H15N3O3/c1-12-14-9-5-6-10-15(14)24-16(12)17-21-19(25-22-17)18(23)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyWWPDJMQQFVCFOJ-UHFFFAOYSA-N
XLogP3.72
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-1-benzofuran-2-yl)-N-[(2S)-2-phenylpropyl]-1,2,4-oxadiazole-5-carboxamide
CID 95084791
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(3-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104936
(4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 53104831
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451
5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081224
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104944
N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53126253
N-[2-(4-chlorophenyl)ethyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104986
N-[2-(azepan-1-yl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104966
N-benzyl-3-[1-(4-bromophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931756
N-benzyl-3-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931806

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide (CID 53104839) is N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide is Cc1c(-c2noc(C(=O)NCc3ccccc3)n2)oc2ccccc12.
What is the InChIKey of N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is WWPDJMQQFVCFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-14-9-5-6-10-15(14)24-16(12)17-21-19(25-22-17)18(23)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide?
N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53104839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).