(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine

C13H17ClN2O2 — CID 59173187

IUPAC(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCO[C@@H](CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-17-12(9-2-4-10(14)5-3-9)7-6-11-8-18-13(15)16-11/h2-5,11-12H,6-8H2,1H3,(H2,15,16)/t11-,12-/m0/s1
InChIKeyVBADMMOMJBLCDK-RYUDHWBXSA-N
MW268.74 g/mol
LogP2.52
Rot. Bonds5

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

(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173187) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173187
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCO[C@@H](CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-17-12(9-2-4-10(14)5-3-9)7-6-11-8-18-13(15)16-11/h2-5,11-12H,6-8H2,1H3,(H2,15,16)/t11-,12-/m0/s1
InChIKeyVBADMMOMJBLCDK-RYUDHWBXSA-N
XLogP2.52
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59173187) is (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is CO[C@@H](CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1.
What is the InChIKey of (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is VBADMMOMJBLCDK-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-17-12(9-2-4-10(14)5-3-9)7-6-11-8-18-13(15)16-11/h2-5,11-12H,6-8H2,1H3,(H2,15,16)/t11-,12-/m0/s1.
What are the key properties of (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 268.74 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).