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

C10H10ClFN2O — CID 59323726

IUPAC(4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@@]1(c2ccc(F)c(Cl)c2)COC(N)=N1
InChIInChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyJIRFOXZZWOHFBF-JTQLQIEISA-N
MW228.65 g/mol
LogP2.04
Rot. Bonds1

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

(4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 59323726) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID59323726
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name(4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@@]1(c2ccc(F)c(Cl)c2)COC(N)=N1
InChIInChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyJIRFOXZZWOHFBF-JTQLQIEISA-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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (CID 59323726) is (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is C[C@@]1(c2ccc(F)c(Cl)c2)COC(N)=N1.
What is the InChIKey of (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is JIRFOXZZWOHFBF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H2,13,14)/t10-/m0/s1.
What are the key properties of (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
(4R)-4-(3-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 (4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).