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

C23H21N3O4 — CID 1292336

IUPACN-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-4-16-6-12-19(13-7-16)29-15-21-25-22(26-30-21)17-8-10-18(11-9-17)24-23(27)20-5-3-14-28-20/h3,5-14H,2,4,15H2,1H3,(H,24,27)
InChIKeyFETJWCCBQMPNNW-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.11
Rot. Bonds8

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

N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 1292336) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID1292336
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-4-16-6-12-19(13-7-16)29-15-21-25-22(26-30-21)17-8-10-18(11-9-17)24-23(27)20-5-3-14-28-20/h3,5-14H,2,4,15H2,1H3,(H,24,27)
InChIKeyFETJWCCBQMPNNW-UHFFFAOYSA-N
XLogP5.11
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-Furyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 913777
5-(Furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
2-Ethoxy-3-(5-furan-2-yl-[1,2,4]oxadiazol-3-yl)-6-phenyl-pyridine
CID 645766
N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625323
5-bromo-N-{4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 1292281
N-(4-{5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 2952777
N-(4-{5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 3236488
N-{4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 3237564
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-1,3-benzodioxole-5-carboxamide
CID 3237822
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 3238276
5-bromo-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide
CID 5070905
5-(2-Furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 646957

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 1292336) is N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1.
What is the InChIKey of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is FETJWCCBQMPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-2-4-16-6-12-19(13-7-16)29-15-21-25-22(26-30-21)17-8-10-18(11-9-17)24-23(27)20-5-3-14-28-20/h3,5-14H,2,4,15H2,1H3,(H,24,27).
What are the key properties of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1292336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).