N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide

C19H15N3O4 — CID 4970557

IUPACN-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
SMILESCc1ccc(OCc2occc2C(=O)Nc2cccc3nonc23)cc1
InChIInChI=1S/C19H15N3O4/c1-12-5-7-13(8-6-12)25-11-17-14(9-10-24-17)19(23)20-15-3-2-4-16-18(15)22-26-21-16/h2-10H,11H2,1H3,(H,20,23)
InChIKeyAGJJRSXPOQJOFM-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.96
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide

N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide (PubChem CID 4970557) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
PubChem CID4970557
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
SMILESCc1ccc(OCc2occc2C(=O)Nc2cccc3nonc23)cc1
InChIInChI=1S/C19H15N3O4/c1-12-5-7-13(8-6-12)25-11-17-14(9-10-24-17)19(23)20-15-3-2-4-16-18(15)22-26-21-16/h2-10H,11H2,1H3,(H,20,23)
InChIKeyAGJJRSXPOQJOFM-UHFFFAOYSA-N
XLogP3.96
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide (CID 4970557) is N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide is Cc1ccc(OCc2occc2C(=O)Nc2cccc3nonc23)cc1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide?
The InChIKey is AGJJRSXPOQJOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-12-5-7-13(8-6-12)25-11-17-14(9-10-24-17)19(23)20-15-3-2-4-16-18(15)22-26-21-16/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide?
N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide is sourced from PubChem (CID 4970557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).