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

C10H10FN3O — CID 115777289

IUPACN-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccc(F)c2)n1
InChIInChI=1S/C10H10FN3O/c1-7-13-10(15-14-7)12-6-8-3-2-4-9(11)5-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyMEWHBJZDTHWSED-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.13
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 115777289) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID115777289
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccc(F)c2)n1
InChIInChI=1S/C10H10FN3O/c1-7-13-10(15-14-7)12-6-8-3-2-4-9(11)5-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyMEWHBJZDTHWSED-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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Related Compounds

3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
N-[(4-fluoro-3-methylphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777296
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678194
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592348
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924870
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 115777289) is N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2cccc(F)c2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is MEWHBJZDTHWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-7-13-10(15-14-7)12-6-8-3-2-4-9(11)5-8/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[(3-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-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115777289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).