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

C8H10F3N3O2 — CID 166851751

IUPACN-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)NC(=O)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C8H10F3N3O2/c1-4(2)12-5(15)3-6-13-14-7(16-6)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)
InChIKeyAMJMVNMMMPKQBC-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.16
Rot. Bonds3

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

N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 166851751) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID166851751
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)NC(=O)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C8H10F3N3O2/c1-4(2)12-5(15)3-6-13-14-7(16-6)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)
InChIKeyAMJMVNMMMPKQBC-UHFFFAOYSA-N
XLogP1.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 166851751) is N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is CC(C)NC(=O)Cc1nnc(C(F)(F)F)o1.
What is the InChIKey of N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is AMJMVNMMMPKQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4(2)12-5(15)3-6-13-14-7(16-6)8(9,10)11/h4H,3H2,1-2H3,(H,12,15).
What are the key properties of N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 237.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 166851751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).