N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C21H21F3N4O3 — CID 16599589

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)n2)cc1
InChIInChI=1S/C21H21F3N4O3/c1-28(2)17-9-6-14(21(22,23)24)12-16(17)25-18(29)10-11-19-26-20(27-31-19)13-4-7-15(30-3)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,25,29)
InChIKeyLWXMHYQNJWZHQP-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.40
Rot. Bonds7

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 16599589) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID16599589
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)n2)cc1
InChIInChI=1S/C21H21F3N4O3/c1-28(2)17-9-6-14(21(22,23)24)12-16(17)25-18(29)10-11-19-26-20(27-31-19)13-4-7-15(30-3)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,25,29)
InChIKeyLWXMHYQNJWZHQP-UHFFFAOYSA-N
XLogP4.40
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9302637
3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 50832165
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-[1-(4-methoxyphenyl)ethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 133200589
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 3631234
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55964947
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3239217
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 17354513
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 38905539

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 16599589) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is LWXMHYQNJWZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-28(2)17-9-6-14(21(22,23)24)12-16(17)25-18(29)10-11-19-26-20(27-31-19)13-4-7-15(30-3)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 434.42 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 16599589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).