N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C10H11FN4O — CID 106968128

IUPACN-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C10H11FN4O/c1-12-6-9-14-15-10(16-9)13-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3,(H,13,15)
InChIKeyUXVXABJPTSZJLO-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.67
Rot. Bonds4

About N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968128) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968128
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC NameN-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C10H11FN4O/c1-12-6-9-14-15-10(16-9)13-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3,(H,13,15)
InChIKeyUXVXABJPTSZJLO-UHFFFAOYSA-N
XLogP1.67
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967012
N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969724
5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106969727
N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968069
N-(2-bromophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968057
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline
CID 110653357
5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 24866777
5-[(tert-butylamino)methyl]-N-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106968953
5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine
CID 106963058
5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967236
[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate
CID 59464289
1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62137362

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106968128) is N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(Nc2ccccc2F)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UXVXABJPTSZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-12-6-9-14-15-10(16-9)13-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3,(H,13,15).
What are the key properties of N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 222.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).