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

C10H11ClN2O — CID 24966469

IUPAC(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccccc2Cl)COC(N)=N1
InChIInChI=1S/C10H11ClN2O/c1-10(6-14-9(12)13-10)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H2,12,13)/t10-/m1/s1
InChIKeyDHXYGMYUXSOEGU-SNVBAGLBSA-N
MW210.66 g/mol
LogP1.90
Rot. Bonds1

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

(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 24966469) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID24966469
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccccc2Cl)COC(N)=N1
InChIInChI=1S/C10H11ClN2O/c1-10(6-14-9(12)13-10)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H2,12,13)/t10-/m1/s1
InChIKeyDHXYGMYUXSOEGU-SNVBAGLBSA-N
XLogP1.90
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (CID 24966469) is (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(c2ccccc2Cl)COC(N)=N1.
What is the InChIKey of (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is DHXYGMYUXSOEGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-10(6-14-9(12)13-10)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H2,12,13)/t10-/m1/s1.
What are the key properties of (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 210.66 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 24966469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).