(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H16N2O — CID 24967189

IUPAC(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cccc(CC[C@H]2COC(N)=N2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)5-6-11-8-15-12(13)14-11/h2-4,7,11H,5-6,8H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyACUJTCHJGNGDMS-NSHDSACASA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds3

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

(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24967189) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24967189
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cccc(CC[C@H]2COC(N)=N2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)5-6-11-8-15-12(13)14-11/h2-4,7,11H,5-6,8H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyACUJTCHJGNGDMS-NSHDSACASA-N
XLogP1.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24967189) is (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is Cc1cccc(CC[C@H]2COC(N)=N2)c1.
What is the InChIKey of (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ACUJTCHJGNGDMS-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)5-6-11-8-15-12(13)14-11/h2-4,7,11H,5-6,8H2,1H3,(H2,13,14)/t11-/m0/s1.
What are the key properties of (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 204.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24967189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).