N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C21H16FN3O2S — CID 39220859

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C21H16FN3O2S/c22-16-8-4-5-14(9-16)10-18-12-23-21(28-18)25-19(26)11-17-13-27-20(24-17)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,23,25,26)
InChIKeyKPCKLACITCRIAO-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.71
Rot. Bonds6

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 39220859) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID39220859
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C21H16FN3O2S/c22-16-8-4-5-14(9-16)10-18-12-23-21(28-18)25-19(26)11-17-13-27-20(24-17)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,23,25,26)
InChIKeyKPCKLACITCRIAO-UHFFFAOYSA-N
XLogP4.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
N-[2-(3-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 29292797
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
2-(2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888893
N-(5-fluoro-2-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803562
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34807215
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
2-(3-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835517
N-[3-[(dimethylamino)methyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86932024
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167327072

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 39220859) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is O=C(Cc1coc(-c2ccccc2)n1)Nc1ncc(Cc2cccc(F)c2)s1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is KPCKLACITCRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-16-8-4-5-14(9-16)10-18-12-23-21(28-18)25-19(26)11-17-13-27-20(24-17)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,23,25,26).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 39220859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).