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

C10H10ClFN2O — CID 59323760

IUPAC(4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2cc(Cl)ccc2F)COC(N)=N1
InChIInChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyHRJZCHBCNRFJIB-SNVBAGLBSA-N
MW228.65 g/mol
LogP2.04
Rot. Bonds1

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

(4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 59323760) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID59323760
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name(4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2cc(Cl)ccc2F)COC(N)=N1
InChIInChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyHRJZCHBCNRFJIB-SNVBAGLBSA-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 (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (CID 59323760) is (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(c2cc(Cl)ccc2F)COC(N)=N1.
What is the InChIKey of (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is HRJZCHBCNRFJIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c1-10(5-15-9(13)14-10)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-(5-chloro-2-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 (4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).