(4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C10H11ClN2O2 — CID 59323703

IUPAC(4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](COc2cccc(Cl)c2)CO1
InChIInChI=1S/C10H11ClN2O2/c11-7-2-1-3-9(4-7)14-5-8-6-15-10(12)13-8/h1-4,8H,5-6H2,(H2,12,13)/t8-/m0/s1
InChIKeyCKZPYDQAKLAGKM-QMMMGPOBSA-N
MW226.66 g/mol
LogP1.43
Rot. Bonds3

About (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323703) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323703
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](COc2cccc(Cl)c2)CO1
InChIInChI=1S/C10H11ClN2O2/c11-7-2-1-3-9(4-7)14-5-8-6-15-10(12)13-8/h1-4,8H,5-6H2,(H2,12,13)/t8-/m0/s1
InChIKeyCKZPYDQAKLAGKM-QMMMGPOBSA-N
XLogP1.43
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323703) is (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](COc2cccc(Cl)c2)CO1.
What is the InChIKey of (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is CKZPYDQAKLAGKM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-7-2-1-3-9(4-7)14-5-8-6-15-10(12)13-8/h1-4,8H,5-6H2,(H2,12,13)/t8-/m0/s1.
What are the key properties of (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 226.66 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).