N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

C12H13F3N4O3 — CID 90651141

IUPACN-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCc1cc(CC(=O)N(C)CCc2noc(C(F)(F)F)n2)on1
InChIInChI=1S/C12H13F3N4O3/c1-7-5-8(21-17-7)6-10(20)19(2)4-3-9-16-11(22-18-9)12(13,14)15/h5H,3-4,6H2,1-2H3
InChIKeyHNWLNGKFEHYKFW-UHFFFAOYSA-N
MW318.26 g/mol
LogP1.63
Rot. Bonds5

About N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 90651141) has the molecular formula C12H13F3N4O3 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID90651141
Molecular FormulaC12H13F3N4O3
Molecular Weight318.26 g/mol
Exact Mass318.09
IUPAC NameN-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCc1cc(CC(=O)N(C)CCc2noc(C(F)(F)F)n2)on1
InChIInChI=1S/C12H13F3N4O3/c1-7-5-8(21-17-7)6-10(20)19(2)4-3-9-16-11(22-18-9)12(13,14)15/h5H,3-4,6H2,1-2H3
InChIKeyHNWLNGKFEHYKFW-UHFFFAOYSA-N
XLogP1.63
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 90651141) is N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is Cc1cc(CC(=O)N(C)CCc2noc(C(F)(F)F)n2)on1.
What is the InChIKey of N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is HNWLNGKFEHYKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O3/c1-7-5-8(21-17-7)6-10(20)19(2)4-3-9-16-11(22-18-9)12(13,14)15/h5H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 318.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 90651141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).