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

C23H20BrN3O4 — CID 5076685

IUPAC5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)cc1
InChIInChI=1S/C23H20BrN3O4/c1-2-3-15-4-10-18(11-5-15)29-14-21-26-22(27-31-21)16-6-8-17(9-7-16)25-23(28)19-12-13-20(24)30-19/h4-13H,2-3,14H2,1H3,(H,25,28)
InChIKeyJDLWZNXHKQHYSU-UHFFFAOYSA-N
MW482.33 g/mol
LogP5.88
Rot. Bonds8

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

5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 5076685) has the molecular formula C23H20BrN3O4 and a molecular weight of 482.33 g/mol. Its IUPAC name is 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID5076685
Molecular FormulaC23H20BrN3O4
Molecular Weight482.33 g/mol
Exact Mass481.06
IUPAC Name5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)cc1
InChIInChI=1S/C23H20BrN3O4/c1-2-3-15-4-10-18(11-5-15)29-14-21-26-22(27-31-21)16-6-8-17(9-7-16)25-23(28)19-12-13-20(24)30-19/h4-13H,2-3,14H2,1H3,(H,25,28)
InChIKeyJDLWZNXHKQHYSU-UHFFFAOYSA-N
XLogP5.88
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.33
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
CID 75511310
N-[4-[5-[(4-bromophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 2203142
5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 39867589
5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
CID 4951508
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylaniline
CID 112796906
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 5076685) is 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)cc1.
What is the InChIKey of 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is JDLWZNXHKQHYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O4/c1-2-3-15-4-10-18(11-5-15)29-14-21-26-22(27-31-21)16-6-8-17(9-7-16)25-23(28)19-12-13-20(24)30-19/h4-13H,2-3,14H2,1H3,(H,25,28).
What are the key properties of 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 482.33 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 5076685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).