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

C14H15F2N3O2 — CID 39894724

IUPACN-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H15F2N3O2/c1-8(2)14-18-13(21-19-14)6-5-12(20)17-11-4-3-9(15)7-10(11)16/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyCXQRFJMKAFEZNV-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.04
Rot. Bonds5

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

N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 39894724) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID39894724
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H15F2N3O2/c1-8(2)14-18-13(21-19-14)6-5-12(20)17-11-4-3-9(15)7-10(11)16/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyCXQRFJMKAFEZNV-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 39894724) is N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)c1noc(CCC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CXQRFJMKAFEZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-8(2)14-18-13(21-19-14)6-5-12(20)17-11-4-3-9(15)7-10(11)16/h3-4,7-8H,5-6H2,1-2H3,(H,17,20).
What are the key properties of N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 295.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 39894724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).