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

C10H10Cl2N2O — CID 24966461

IUPAC(4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(Cl)c(Cl)c2)COC(N)=N1
InChIInChI=1S/C10H10Cl2N2O/c1-10(5-15-9(13)14-10)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyZWKHFKIXBKZZMZ-SNVBAGLBSA-N
MW245.11 g/mol
LogP2.55
Rot. Bonds1

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

(4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 24966461) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID24966461
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name(4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(Cl)c(Cl)c2)COC(N)=N1
InChIInChI=1S/C10H10Cl2N2O/c1-10(5-15-9(13)14-10)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyZWKHFKIXBKZZMZ-SNVBAGLBSA-N
XLogP2.55
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (CID 24966461) is (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(c2ccc(Cl)c(Cl)c2)COC(N)=N1.
What is the InChIKey of (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is ZWKHFKIXBKZZMZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c1-10(5-15-9(13)14-10)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 245.11 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 24966461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).