N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H19ClFN5O2 — CID 25034207

IUPACN-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)(C)c1ncc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cn1
InChIInChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
InChIKeyOLHXKPCTKJZNJB-UHFFFAOYSA-N
MW403.85 g/mol
LogP4.19
Rot. Bonds5

About N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 25034207) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID25034207
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)(C)c1ncc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cn1
InChIInChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
InChIKeyOLHXKPCTKJZNJB-UHFFFAOYSA-N
XLogP4.19
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 25034207) is N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)(C)c1ncc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cn1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is OLHXKPCTKJZNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 403.85 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 25034207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).