N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

C25H24ClN3O4 — CID 30804689

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C(C)C)o2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-16(2)29(14-23-27-28-24(33-23)18-6-8-19(26)9-7-18)25(30)22-13-12-21(32-22)15-31-20-10-4-17(3)5-11-20/h4-13,16H,14-15H2,1-3H3
InChIKeyOHVLFRQETQZJBX-UHFFFAOYSA-N
MW465.94 g/mol
LogP5.92
Rot. Bonds8

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 30804689) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID30804689
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C(C)C)o2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-16(2)29(14-23-27-28-24(33-23)18-6-8-19(26)9-7-18)25(30)22-13-12-21(32-22)15-31-20-10-4-17(3)5-11-20/h4-13,16H,14-15H2,1-3H3
InChIKeyOHVLFRQETQZJBX-UHFFFAOYSA-N
XLogP5.92
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345713
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 30804673
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345881
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8699771
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 35346939
4-acetyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethyl-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 17421343
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 30804674
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
CID 50844071
2-[(4-chlorophenoxy)methyl]-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 38834490
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 30804689) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C(C)C)o2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is OHVLFRQETQZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-16(2)29(14-23-27-28-24(33-23)18-6-8-19(26)9-7-18)25(30)22-13-12-21(32-22)15-31-20-10-4-17(3)5-11-20/h4-13,16H,14-15H2,1-3H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 30804689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).