N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide

C10H12F3N3O2 — CID 91775633

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCc1noc(C2CC2)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)4-3-8(17)14-5-7-15-9(18-16-7)6-1-2-6/h6H,1-5H2,(H,14,17)
InChIKeyAFRNQZQKDHFQPL-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.91
Rot. Bonds5

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide (PubChem CID 91775633) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide
PubChem CID91775633
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCc1noc(C2CC2)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)4-3-8(17)14-5-7-15-9(18-16-7)6-1-2-6/h6H,1-5H2,(H,14,17)
InChIKeyAFRNQZQKDHFQPL-UHFFFAOYSA-N
XLogP1.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 28275451
1-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 28064907
(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 56773494
N-(cyclopropylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 45884185
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide
CID 91917582
"N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide"
CID 91917590
5-Cyclopropyl-3-(pyrrolidin-3-yl)-1,2,4-oxadiazole
CID 58408502
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide
CID 91907214
[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]methylamine hydrochloride
CID 75530755
N-((5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)methyl)cyclopropanamine
CID 104046258
N-[2-(5-Methyl-1,2,4-oxadiazol-3-YL)ethyl]cyclopropanecarboxamide
CID 91907145
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide
CID 91907183

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide (CID 91775633) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NCc1noc(C2CC2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide?
The InChIKey is AFRNQZQKDHFQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)4-3-8(17)14-5-7-15-9(18-16-7)6-1-2-6/h6H,1-5H2,(H,14,17).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide has a molecular weight of 263.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 91775633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).