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

C11H10F3N5O2 — CID 71557454

IUPACN-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESO=C(CCCc1noc(C(F)(F)F)n1)Nc1ccncn1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)10-18-8(19-21-10)2-1-3-9(20)17-7-4-5-15-6-16-7/h4-6H,1-3H2,(H,15,16,17,20)
InChIKeyDCAGVKGNMVWAHZ-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.84
Rot. Bonds5

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

N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (PubChem CID 71557454) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound NameN-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
PubChem CID71557454
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC NameN-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESO=C(CCCc1noc(C(F)(F)F)n1)Nc1ccncn1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)10-18-8(19-21-10)2-1-3-9(20)17-7-4-5-15-6-16-7/h4-6H,1-3H2,(H,15,16,17,20)
InChIKeyDCAGVKGNMVWAHZ-UHFFFAOYSA-N
XLogP1.84
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.84
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-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The IUPAC name of N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (CID 71557454) is N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.
What is the SMILES notation for N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The canonical SMILES for N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is O=C(CCCc1noc(C(F)(F)F)n1)Nc1ccncn1.
What is the InChIKey of N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The InChIKey is DCAGVKGNMVWAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c12-11(13,14)10-18-8(19-21-10)2-1-3-9(20)17-7-4-5-15-6-16-7/h4-6H,1-3H2,(H,15,16,17,20).
What are the key properties of N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide has a molecular weight of 301.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 71557454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).