N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine

C20H15N3O4 — CID 134019628

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine
SMILESCOc1cc2c(cc1NCc1nc(-c3ccco3)no1)oc1ccccc12
InChIInChI=1S/C20H15N3O4/c1-24-18-9-13-12-5-2-3-6-15(12)26-17(13)10-14(18)21-11-19-22-20(23-27-19)16-7-4-8-25-16/h2-10,21H,11H2,1H3
InChIKeyJDCBFWCIIYRBAI-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.85
Rot. Bonds5

About N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine (PubChem CID 134019628) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine
PubChem CID134019628
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine
SMILESCOc1cc2c(cc1NCc1nc(-c3ccco3)no1)oc1ccccc12
InChIInChI=1S/C20H15N3O4/c1-24-18-9-13-12-5-2-3-6-15(12)26-17(13)10-14(18)21-11-19-22-20(23-27-19)16-7-4-8-25-16/h2-10,21H,11H2,1H3
InChIKeyJDCBFWCIIYRBAI-UHFFFAOYSA-N
XLogP4.85
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

Analyze N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine 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-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine
CID 78822745
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
CID 134019621
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90563552
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485597
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyaniline
CID 55409486
2-benzyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 55436862
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 55551771
5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
CID 43052587
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63352296
3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
CID 3762695
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine (CID 134019628) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine is COc1cc2c(cc1NCc1nc(-c3ccco3)no1)oc1ccccc12.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine?
The InChIKey is JDCBFWCIIYRBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-24-18-9-13-12-5-2-3-6-15(12)26-17(13)10-14(18)21-11-19-22-20(23-27-19)16-7-4-8-25-16/h2-10,21H,11H2,1H3.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine has a molecular weight of 361.36 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine is sourced from PubChem (CID 134019628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).