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

C12H12F3N5O2 — CID 71557931

IUPACN-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
SMILESO=C(CCCCc1noc(C(F)(F)F)n1)Nc1ccncn1
InChIInChI=1S/C12H12F3N5O2/c13-12(14,15)11-19-9(20-22-11)3-1-2-4-10(21)18-8-5-6-16-7-17-8/h5-7H,1-4H2,(H,16,17,18,21)
InChIKeyRBHXEIWUOOWLNW-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.23
Rot. Bonds6

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

N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide (PubChem CID 71557931) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
PubChem CID71557931
Molecular FormulaC12H12F3N5O2
Molecular Weight315.25 g/mol
Exact Mass315.09
IUPAC NameN-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
SMILESO=C(CCCCc1noc(C(F)(F)F)n1)Nc1ccncn1
InChIInChI=1S/C12H12F3N5O2/c13-12(14,15)11-19-9(20-22-11)3-1-2-4-10(21)18-8-5-6-16-7-17-8/h5-7H,1-4H2,(H,16,17,18,21)
InChIKeyRBHXEIWUOOWLNW-UHFFFAOYSA-N
XLogP2.23
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4,4-Difluoropyrrolidin-2-YL)-1,2,4-oxadiazol-3-YL]pyrimidine
CID 110203262
N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide
CID 86192667
N-[2-(5-Cyclopentyl-1,2,4-oxadiazol-3-YL)ethyl]pyrimidin-2-amine
CID 72932893
5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanamide
CID 13883818
6-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]hexanamide
CID 13883819
N-pyrimidin-4-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 71556973
N-pyrimidin-5-yl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 71557287
N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 71557454
N-pyrimidin-5-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 71557770
N-pyrimidin-5-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
CID 71558258
2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
CID 71559020
N-pyrimidin-5-yl-8-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octanamide
CID 89543104

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
The IUPAC name of N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide (CID 71557931) is N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide.
What is the SMILES notation for N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
The canonical SMILES for N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide is O=C(CCCCc1noc(C(F)(F)F)n1)Nc1ccncn1.
What is the InChIKey of N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
The InChIKey is RBHXEIWUOOWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c13-12(14,15)11-19-9(20-22-11)3-1-2-4-10(21)18-8-5-6-16-7-17-8/h5-7H,1-4H2,(H,16,17,18,21).
What are the key properties of N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide has a molecular weight of 315.25 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide is sourced from PubChem (CID 71557931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).