5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

C17H12N4O4 — CID 53327040

IUPAC5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESNc1ccc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)o2)cc1
InChIInChI=1S/C17H12N4O4/c18-11-5-3-10(4-6-11)12-7-8-13(24-12)15(22)19-17-21-20-16(25-17)14-2-1-9-23-14/h1-9H,18H2,(H,19,21,22)
InChIKeyPFHISQWGWDUUKK-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.42
Rot. Bonds4

About 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 53327040) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID53327040
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESNc1ccc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)o2)cc1
InChIInChI=1S/C17H12N4O4/c18-11-5-3-10(4-6-11)12-7-8-13(24-12)15(22)19-17-21-20-16(25-17)14-2-1-9-23-14/h1-9H,18H2,(H,19,21,22)
InChIKeyPFHISQWGWDUUKK-UHFFFAOYSA-N
XLogP3.42
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylfuran-2-carboxamide
CID 90320525
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 70941535
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362560
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 4151972
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941259
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide
CID 142739372
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4129515
3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 89120372
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 45497116
2-amino-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 89120301

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 53327040) is 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is Nc1ccc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)o2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is PFHISQWGWDUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c18-11-5-3-10(4-6-11)12-7-8-13(24-12)15(22)19-17-21-20-16(25-17)14-2-1-9-23-14/h1-9H,18H2,(H,19,21,22).
What are the key properties of 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 53327040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).