4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine

C10H10ClFN2O — CID 59323697

IUPAC4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESCC1(c2ccc(F)cc2Cl)COC(N)=N1
InChIInChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H2,13,14)
InChIKeyMEAQVEQVCHQBTG-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.04
Rot. Bonds1

About 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine

4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 59323697) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID59323697
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESCC1(c2ccc(F)cc2Cl)COC(N)=N1
InChIInChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H2,13,14)
InChIKeyMEAQVEQVCHQBTG-UHFFFAOYSA-N
XLogP2.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-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 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (CID 59323697) is 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is CC1(c2ccc(F)cc2Cl)COC(N)=N1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is MEAQVEQVCHQBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H2,13,14).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 228.65 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).