(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine

C9H10N2O — CID 11116360

IUPAC(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C9H10N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)/t8-/m1/s1
InChIKeyZBFPLELNWIASCT-MRVPVSSYSA-N
MW162.19 g/mol
LogP1.07
Rot. Bonds1

About (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 11116360) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID11116360
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C9H10N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)/t8-/m1/s1
InChIKeyZBFPLELNWIASCT-MRVPVSSYSA-N
XLogP1.07
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine (CID 11116360) is (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ZBFPLELNWIASCT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)/t8-/m1/s1.
What are the key properties of (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 162.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 11116360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).