N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide

C10H8F3N5O2 — CID 71556973

IUPACN-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESO=C(CCc1noc(C(F)(F)F)n1)Nc1ccncn1
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)9-17-7(18-20-9)1-2-8(19)16-6-3-4-14-5-15-6/h3-5H,1-2H2,(H,14,15,16,19)
InChIKeyHNENLUCXLANSDP-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.45
Rot. Bonds4

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

N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 71556973) has the molecular formula C10H8F3N5O2 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID71556973
Molecular FormulaC10H8F3N5O2
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC NameN-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESO=C(CCc1noc(C(F)(F)F)n1)Nc1ccncn1
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)9-17-7(18-20-9)1-2-8(19)16-6-3-4-14-5-15-6/h3-5H,1-2H2,(H,14,15,16,19)
InChIKeyHNENLUCXLANSDP-UHFFFAOYSA-N
XLogP1.45
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide (CID 71556973) is N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide is O=C(CCc1noc(C(F)(F)F)n1)Nc1ccncn1.
What is the InChIKey of N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is HNENLUCXLANSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2/c11-10(12,13)9-17-7(18-20-9)1-2-8(19)16-6-3-4-14-5-15-6/h3-5H,1-2H2,(H,14,15,16,19).
What are the key properties of N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 287.20 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 71556973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).