N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine

C12H12FN3O — CID 62594126

IUPACN-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1Cc1noc(NC2CC2)n1
InChIInChI=1S/C12H12FN3O/c13-10-4-2-1-3-8(10)7-11-15-12(17-16-11)14-9-5-6-9/h1-4,9H,5-7H2,(H,14,15,16)
InChIKeyRAXRQNKYPKTPBP-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.37
Rot. Bonds4

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

N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 62594126) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID62594126
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1Cc1noc(NC2CC2)n1
InChIInChI=1S/C12H12FN3O/c13-10-4-2-1-3-8(10)7-11-15-12(17-16-11)14-9-5-6-9/h1-4,9H,5-7H2,(H,14,15,16)
InChIKeyRAXRQNKYPKTPBP-UHFFFAOYSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine (CID 62594126) is N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine is Fc1ccccc1Cc1noc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is RAXRQNKYPKTPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-4-2-1-3-8(10)7-11-15-12(17-16-11)14-9-5-6-9/h1-4,9H,5-7H2,(H,14,15,16).
What are the key properties of N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 233.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).