(4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine

C10H10FN3O — CID 62122096

IUPAC(4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1cc(C(N)c2ncon2)ccc1F
InChIInChI=1S/C10H10FN3O/c1-6-4-7(2-3-8(6)11)9(12)10-13-5-15-14-10/h2-5,9H,12H2,1H3
InChIKeyAFKWBKQPZBOZGC-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.57
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine

(4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 62122096) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
PubChem CID62122096
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name(4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1cc(C(N)c2ncon2)ccc1F
InChIInChI=1S/C10H10FN3O/c1-6-4-7(2-3-8(6)11)9(12)10-13-5-15-14-10/h2-5,9H,12H2,1H3
InChIKeyAFKWBKQPZBOZGC-UHFFFAOYSA-N
XLogP1.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine (CID 62122096) is (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine is Cc1cc(C(N)c2ncon2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is AFKWBKQPZBOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-6-4-7(2-3-8(6)11)9(12)10-13-5-15-14-10/h2-5,9H,12H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
(4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 207.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 62122096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).