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

C10H12N2O — CID 3058692

IUPAC(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H]1N=C(N)O[C@@H]1c1ccccc1
InChIInChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)/t7-,9-/m0/s1
InChIKeyLJQBMYDFWFGESC-CBAPKCEASA-N
MW176.22 g/mol
LogP1.46
Rot. Bonds1

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

(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 3058692) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID3058692
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H]1N=C(N)O[C@@H]1c1ccccc1
InChIInChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)/t7-,9-/m0/s1
InChIKeyLJQBMYDFWFGESC-CBAPKCEASA-N
XLogP1.46
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (CID 3058692) is (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is C[C@@H]1N=C(N)O[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is LJQBMYDFWFGESC-CBAPKCEASA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)/t7-,9-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 3058692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).