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

C16H17N3O4 — CID 75378202

IUPACN-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccccc1NCc1noc(-c2ccoc2)n1
InChIInChI=1S/C16H17N3O4/c1-20-8-9-22-14-5-3-2-4-13(14)17-10-15-18-16(23-19-15)12-6-7-21-11-12/h2-7,11,17H,8-10H2,1H3
InChIKeyIVKKMWDLTWLZTA-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.97
Rot. Bonds8

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

N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline (PubChem CID 75378202) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline
PubChem CID75378202
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccccc1NCc1noc(-c2ccoc2)n1
InChIInChI=1S/C16H17N3O4/c1-20-8-9-22-14-5-3-2-4-13(14)17-10-15-18-16(23-19-15)12-6-7-21-11-12/h2-7,11,17H,8-10H2,1H3
InChIKeyIVKKMWDLTWLZTA-UHFFFAOYSA-N
XLogP2.97
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline?
The IUPAC name of N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline (CID 75378202) is N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline is COCCOc1ccccc1NCc1noc(-c2ccoc2)n1.
What is the InChIKey of N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline?
The InChIKey is IVKKMWDLTWLZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-20-8-9-22-14-5-3-2-4-13(14)17-10-15-18-16(23-19-15)12-6-7-21-11-12/h2-7,11,17H,8-10H2,1H3.
What are the key properties of N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline?
N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline has a molecular weight of 315.33 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline is sourced from PubChem (CID 75378202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).