(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

C10H11ClFN3O — CID 54593388

IUPAC(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(C(N)c2ccccc2F)no1.Cl
InChIInChI=1S/C10H10FN3O.ClH/c1-6-13-10(14-15-6)9(12)7-4-2-3-5-8(7)11;/h2-5,9H,12H2,1H3;1H
InChIKeyCSOOWMUMKFKOLY-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.99
Rot. Bonds2

About (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 54593388) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID54593388
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(C(N)c2ccccc2F)no1.Cl
InChIInChI=1S/C10H10FN3O.ClH/c1-6-13-10(14-15-6)9(12)7-4-2-3-5-8(7)11;/h2-5,9H,12H2,1H3;1H
InChIKeyCSOOWMUMKFKOLY-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 54593388) is (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is Cc1nc(C(N)c2ccccc2F)no1.Cl.
What is the InChIKey of (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is CSOOWMUMKFKOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O.ClH/c1-6-13-10(14-15-6)9(12)7-4-2-3-5-8(7)11;/h2-5,9H,12H2,1H3;1H.
What are the key properties of (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 243.67 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 54593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).