2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide

C9H11F3N4O2 — CID 79805717

IUPAC2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1nnc(C2CC2)o1)C(F)(F)F
InChIInChI=1S/C9H11F3N4O2/c1-8(13,9(10,11)12)6(17)14-7-16-15-5(18-7)4-2-3-4/h4H,2-3,13H2,1H3,(H,14,16,17)
InChIKeyJTLZIWCMQIGOPN-UHFFFAOYSA-N
MW264.21 g/mol
LogP1.17
Rot. Bonds3

About 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79805717) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79805717
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1nnc(C2CC2)o1)C(F)(F)F
InChIInChI=1S/C9H11F3N4O2/c1-8(13,9(10,11)12)6(17)14-7-16-15-5(18-7)4-2-3-4/h4H,2-3,13H2,1H3,(H,14,16,17)
InChIKeyJTLZIWCMQIGOPN-UHFFFAOYSA-N
XLogP1.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79805717) is 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1nnc(C2CC2)o1)C(F)(F)F.
What is the InChIKey of 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is JTLZIWCMQIGOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-8(13,9(10,11)12)6(17)14-7-16-15-5(18-7)4-2-3-4/h4H,2-3,13H2,1H3,(H,14,16,17).
What are the key properties of 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 264.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79805717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).