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

C10H9F2N3O — CID 115777292

IUPACN-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O/c1-6-14-10(16-15-6)13-5-7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyKETCQFZZJQXWMS-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.27
Rot. Bonds3

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

N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 115777292) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID115777292
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O/c1-6-14-10(16-15-6)13-5-7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyKETCQFZZJQXWMS-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-[(4-fluoro-3-methylphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777296
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592348
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924870
N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924839
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677310

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 115777292) is N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is KETCQFZZJQXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-6-14-10(16-15-6)13-5-7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3,(H,13,14,15).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[(3,4-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-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115777292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).