N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide

C26H19FN4O3S — CID 112819061

IUPACN-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
SMILESO=C(COc1nnc(-c2ccccc2)o1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C26H19FN4O3S/c27-21-13-11-19(12-14-21)22-17-35-25(28-22)31(15-18-7-3-1-4-8-18)23(32)16-33-26-30-29-24(34-26)20-9-5-2-6-10-20/h1-14,17H,15-16H2
InChIKeyMYYMAXMLEVOFOL-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.61
Rot. Bonds8

About N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide

N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide (PubChem CID 112819061) has the molecular formula C26H19FN4O3S and a molecular weight of 486.53 g/mol. Its IUPAC name is N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
PubChem CID112819061
Molecular FormulaC26H19FN4O3S
Molecular Weight486.53 g/mol
Exact Mass486.12
IUPAC NameN-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
SMILESO=C(COc1nnc(-c2ccccc2)o1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C26H19FN4O3S/c27-21-13-11-19(12-14-21)22-17-35-25(28-22)31(15-18-7-3-1-4-8-18)23(32)16-33-26-30-29-24(34-26)20-9-5-2-6-10-20/h1-14,17H,15-16H2
InChIKeyMYYMAXMLEVOFOL-UHFFFAOYSA-N
XLogP5.61
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate
CID 18230833
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 25316258
[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16619561
N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 112795876
N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1139478
N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
CID 75448103
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 24591343
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 39991108
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethoxypropanamide
CID 56500554
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2338414

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The IUPAC name of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide (CID 112819061) is N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide.
What is the SMILES notation for N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The canonical SMILES for N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide is O=C(COc1nnc(-c2ccccc2)o1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The InChIKey is MYYMAXMLEVOFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3S/c27-21-13-11-19(12-14-21)22-17-35-25(28-22)31(15-18-7-3-1-4-8-18)23(32)16-33-26-30-29-24(34-26)20-9-5-2-6-10-20/h1-14,17H,15-16H2.
What are the key properties of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide has a molecular weight of 486.53 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide is sourced from PubChem (CID 112819061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).