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

C26H19N3O4 — CID 53103254

IUPACN-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(Oc2ccc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc2)cc1
InChIInChI=1S/C26H19N3O4/c1-17-4-12-21(13-5-17)32-22-14-8-18(9-15-22)24-28-26(33-29-24)19-6-10-20(11-7-19)27-25(30)23-3-2-16-31-23/h2-16H,1H3,(H,27,30)
InChIKeyFQKQVHWAXYADCB-UHFFFAOYSA-N
MW437.46 g/mol
LogP6.35
Rot. Bonds6

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

N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 53103254) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID53103254
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC NameN-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(Oc2ccc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc2)cc1
InChIInChI=1S/C26H19N3O4/c1-17-4-12-21(13-5-17)32-22-14-8-18(9-15-22)24-28-26(33-29-24)19-6-10-20(11-7-19)27-25(30)23-3-2-16-31-23/h2-16H,1H3,(H,27,30)
InChIKeyFQKQVHWAXYADCB-UHFFFAOYSA-N
XLogP6.35
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 95083510
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
N-[4,5-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]furan-2-carboxamide
CID 46299802
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39350111
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 56545953
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 46392772

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (CID 53103254) is N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is Cc1ccc(Oc2ccc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc2)cc1.
What is the InChIKey of N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is FQKQVHWAXYADCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c1-17-4-12-21(13-5-17)32-22-14-8-18(9-15-22)24-28-26(33-29-24)19-6-10-20(11-7-19)27-25(30)23-3-2-16-31-23/h2-16H,1H3,(H,27,30).
What are the key properties of N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53103254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).