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

C11H12FN3O — CID 115924734

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccc(C)c(F)c2)o1
InChIInChI=1S/C11H12FN3O/c1-7-3-4-9(5-10(7)12)6-13-11-15-14-8(2)16-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyIEVNSCXFTCKKQD-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.44
Rot. Bonds3

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

N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 115924734) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID115924734
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccc(C)c(F)c2)o1
InChIInChI=1S/C11H12FN3O/c1-7-3-4-9(5-10(7)12)6-13-11-15-14-8(2)16-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyIEVNSCXFTCKKQD-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 115924734) is N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2ccc(C)c(F)c2)o1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is IEVNSCXFTCKKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7-3-4-9(5-10(7)12)6-13-11-15-14-8(2)16-11/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 221.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115924734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).