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

C13H12N2O — CID 59323663

IUPAC(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc3ccccc3c2)CO1
InChIInChI=1S/C13H12N2O/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H2,14,15)/t12-/m1/s1
InChIKeyRJKZMEJDWXVKAC-GFCCVEGCSA-N
MW212.25 g/mol
LogP2.23
Rot. Bonds1

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

(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323663) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323663
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc3ccccc3c2)CO1
InChIInChI=1S/C13H12N2O/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H2,14,15)/t12-/m1/s1
InChIKeyRJKZMEJDWXVKAC-GFCCVEGCSA-N
XLogP2.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine (CID 59323663) is (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccc3ccccc3c2)CO1.
What is the InChIKey of (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RJKZMEJDWXVKAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H2,14,15)/t12-/m1/s1.
What are the key properties of (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 212.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).