(4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine

C11H13ClN2O — CID 59323708

IUPAC(4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine
SMILESCC[C@]1(c2ccc(Cl)cc2)COC(N)=N1
InChIInChI=1S/C11H13ClN2O/c1-2-11(7-15-10(13)14-11)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H2,13,14)/t11-/m1/s1
InChIKeyBXMDSOIMGFAJII-LLVKDONJSA-N
MW224.69 g/mol
LogP2.29
Rot. Bonds2

About (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine

(4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine (PubChem CID 59323708) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine
PubChem CID59323708
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine
SMILESCC[C@]1(c2ccc(Cl)cc2)COC(N)=N1
InChIInChI=1S/C11H13ClN2O/c1-2-11(7-15-10(13)14-11)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H2,13,14)/t11-/m1/s1
InChIKeyBXMDSOIMGFAJII-LLVKDONJSA-N
XLogP2.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine (CID 59323708) is (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine is CC[C@]1(c2ccc(Cl)cc2)COC(N)=N1.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine?
The InChIKey is BXMDSOIMGFAJII-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-11(7-15-10(13)14-11)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H2,13,14)/t11-/m1/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine?
(4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine has a molecular weight of 224.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).