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

C11H10F3N5O2 — CID 135326215

IUPACN-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H10F3N5O2/c1-2-8(20)17-5-7-15-3-6(4-16-7)9-18-10(21-19-9)11(12,13)14/h3-4H,2,5H2,1H3,(H,17,20)
InChIKeyZKSRVWQVULAQSC-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.57
Rot. Bonds4

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

N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide (PubChem CID 135326215) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide
PubChem CID135326215
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC NameN-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H10F3N5O2/c1-2-8(20)17-5-7-15-3-6(4-16-7)9-18-10(21-19-9)11(12,13)14/h3-4H,2,5H2,1H3,(H,17,20)
InChIKeyZKSRVWQVULAQSC-UHFFFAOYSA-N
XLogP1.57
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide (CID 135326215) is N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide is CCC(=O)NCc1ncc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide?
The InChIKey is ZKSRVWQVULAQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-2-8(20)17-5-7-15-3-6(4-16-7)9-18-10(21-19-9)11(12,13)14/h3-4H,2,5H2,1H3,(H,17,20).
What are the key properties of N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide?
N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide has a molecular weight of 301.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 135326215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).