(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde

C11H11NO2 — CID 15122218

IUPAC(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESC[C@@H]1C(c2ccccc2)=NO[C@H]1C=O
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)14-12-11(8)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-,10-/m0/s1
InChIKeyHSFSURQVJUIAPA-WPRPVWTQSA-N
MW189.21 g/mol
LogP1.62
Rot. Bonds2

About (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde

(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde (PubChem CID 15122218) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
PubChem CID15122218
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESC[C@@H]1C(c2ccccc2)=NO[C@H]1C=O
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)14-12-11(8)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-,10-/m0/s1
InChIKeyHSFSURQVJUIAPA-WPRPVWTQSA-N
XLogP1.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
The IUPAC name of (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde (CID 15122218) is (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde is C[C@@H]1C(c2ccccc2)=NO[C@H]1C=O.
What is the InChIKey of (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
The InChIKey is HSFSURQVJUIAPA-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-10(7-13)14-12-11(8)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-,10-/m0/s1.
What are the key properties of (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 15122218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).