N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide

C14H22F3N3O2 — CID 78884274

IUPACN-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1nc(C(C)C)no1
InChIInChI=1S/C14H22F3N3O2/c1-4-5-8-20(9-14(15,16)17)12(21)7-6-11-18-13(10(2)3)19-22-11/h10H,4-9H2,1-3H3
InChIKeyWOUCAPYNNXRTSV-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.32
Rot. Bonds8

About N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide

N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78884274) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78884274
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC NameN-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1nc(C(C)C)no1
InChIInChI=1S/C14H22F3N3O2/c1-4-5-8-20(9-14(15,16)17)12(21)7-6-11-18-13(10(2)3)19-22-11/h10H,4-9H2,1-3H3
InChIKeyWOUCAPYNNXRTSV-UHFFFAOYSA-N
XLogP3.32
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 78884274) is N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)CCc1nc(C(C)C)no1.
What is the InChIKey of N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WOUCAPYNNXRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-4-5-8-20(9-14(15,16)17)12(21)7-6-11-18-13(10(2)3)19-22-11/h10H,4-9H2,1-3H3.
What are the key properties of N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 321.34 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78884274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).