(4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H15FN2O — CID 24968610

IUPAC(4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C[C@H]1COC(N)=N1)c1ccccc1F
InChIInChI=1S/C12H15FN2O/c1-8(6-9-7-16-12(14)15-9)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H2,14,15)/t8?,9-/m0/s1
InChIKeyYEYSDVHCWXEBRI-GKAPJAKFSA-N
MW222.26 g/mol
LogP2.03
Rot. Bonds3

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

(4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24968610) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24968610
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C[C@H]1COC(N)=N1)c1ccccc1F
InChIInChI=1S/C12H15FN2O/c1-8(6-9-7-16-12(14)15-9)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H2,14,15)/t8?,9-/m0/s1
InChIKeyYEYSDVHCWXEBRI-GKAPJAKFSA-N
XLogP2.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
CID 24963286
RO-5263397
CID 56835991
(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59824833
(S)-Rexamino
CID 11116360
(4S)-4,5-Dihydro-4-[(2R)-2-phenylbutyl]-2-oxazolamine
CID 24963287
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323798
(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323854
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24968610) is (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C[C@H]1COC(N)=N1)c1ccccc1F.
What is the InChIKey of (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YEYSDVHCWXEBRI-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(6-9-7-16-12(14)15-9)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H2,14,15)/t8?,9-/m0/s1.
What are the key properties of (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 222.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24968610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).