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

C10H9F2N3O — CID 115924870

IUPACN-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccc(F)c2F)n1
InChIInChI=1S/C10H9F2N3O/c1-6-14-10(16-15-6)13-5-7-3-2-4-8(11)9(7)12/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyZSRCLOOXEWJAHP-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.27
Rot. Bonds3

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

N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 115924870) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID115924870
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccc(F)c2F)n1
InChIInChI=1S/C10H9F2N3O/c1-6-14-10(16-15-6)13-5-7-3-2-4-8(11)9(7)12/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyZSRCLOOXEWJAHP-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
N-[(4-fluoro-3-methylphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777296
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
3-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 130854750
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659990
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592348
N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
CID 115630727
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 115924870) is N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2cccc(F)c2F)n1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ZSRCLOOXEWJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-6-14-10(16-15-6)13-5-7-3-2-4-8(11)9(7)12/h2-4H,5H2,1H3,(H,13,14,15).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 225.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115924870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).