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

C12H16N2O — CID 59323798

IUPAC(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCCc2ccccc2)CO1
InChIInChI=1S/C12H16N2O/c13-12-14-11(9-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)/t11-/m0/s1
InChIKeyKYRYRWLINOBGSL-NSHDSACASA-N
MW204.27 g/mol
LogP1.72
Rot. Bonds4

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

(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323798) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323798
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCCc2ccccc2)CO1
InChIInChI=1S/C12H16N2O/c13-12-14-11(9-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)/t11-/m0/s1
InChIKeyKYRYRWLINOBGSL-NSHDSACASA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323798) is (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCCc2ccccc2)CO1.
What is the InChIKey of (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is KYRYRWLINOBGSL-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c13-12-14-11(9-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)/t11-/m0/s1.
What are the key properties of (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 204.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).