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

C10H10FN3O — CID 118740643

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN3O/c1-7-13-10(15-14-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyJQMSSTQLYVBHPT-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.13
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 118740643) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID118740643
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN3O/c1-7-13-10(15-14-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyJQMSSTQLYVBHPT-UHFFFAOYSA-N
XLogP2.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 118740643) is N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is JQMSSTQLYVBHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-7-13-10(15-14-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 207.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 118740643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).