4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine

C16H18ClFN2O — CID 62588508

IUPAC4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCCCC2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O/c17-11-8-5-9-12(18)13(11)14-15(20-21-16(14)19)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7,19H2
InChIKeyJTTLAHUDSWUTIK-UHFFFAOYSA-N
MW308.78 g/mol
LogP5.15
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine (PubChem CID 62588508) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine
PubChem CID62588508
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCCCC2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O/c17-11-8-5-9-12(18)13(11)14-15(20-21-16(14)19)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7,19H2
InChIKeyJTTLAHUDSWUTIK-UHFFFAOYSA-N
XLogP5.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.78
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-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 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine (CID 62588508) is 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine is Nc1onc(C2CCCCCC2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine?
The InChIKey is JTTLAHUDSWUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c17-11-8-5-9-12(18)13(11)14-15(20-21-16(14)19)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7,19H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine has a molecular weight of 308.78 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-cycloheptyl-1,2-oxazol-5-amine is sourced from PubChem (CID 62588508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).