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

C13H15ClFN3O — CID 133431058

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(N(C)Cc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H15ClFN3O/c1-8(2)12-16-13(19-17-12)18(3)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3
InChIKeySUGQTUIQILYLQP-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.62
Rot. Bonds4

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

N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 133431058) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID133431058
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(N(C)Cc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H15ClFN3O/c1-8(2)12-16-13(19-17-12)18(3)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3
InChIKeySUGQTUIQILYLQP-UHFFFAOYSA-N
XLogP3.62
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-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-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 133431058) is N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)c1noc(N(C)Cc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is SUGQTUIQILYLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-8(2)12-16-13(19-17-12)18(3)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 283.73 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133431058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).