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

C11H14N2O — CID 119058040

IUPAC(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc([C@H]2OC(N)=N[C@H]2C)cc1
InChIInChI=1S/C11H14N2O/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)/t8-,10-/m0/s1
InChIKeyNPILLHMQNMXXTL-WPRPVWTQSA-N
MW190.25 g/mol
LogP1.77
Rot. Bonds1

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

(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 119058040) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID119058040
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc([C@H]2OC(N)=N[C@H]2C)cc1
InChIInChI=1S/C11H14N2O/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)/t8-,10-/m0/s1
InChIKeyNPILLHMQNMXXTL-WPRPVWTQSA-N
XLogP1.77
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.77
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-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 119058040) is (4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is Cc1ccc([C@H]2OC(N)=N[C@H]2C)cc1.
What is the InChIKey of (4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is NPILLHMQNMXXTL-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)/t8-,10-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 190.25 g/mol, XLogP of 1.77, 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-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 119058040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).