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

C16H15NOSe — CID 76764381

IUPAC(5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc([Se]CC2=NO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C16H15NOSe/c1-3-7-13(8-4-1)16-11-14(17-18-16)12-19-15-9-5-2-6-10-15/h1-10,16H,11-12H2/t16-/m1/s1
InChIKeyOKGRAMKLSHHKLI-MRXNPFEDSA-N
MW316.26 g/mol
LogP2.95
Rot. Bonds4

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

(5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 76764381) has the molecular formula C16H15NOSe and a molecular weight of 316.26 g/mol. Its IUPAC name is (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
PubChem CID76764381
Molecular FormulaC16H15NOSe
Molecular Weight316.26 g/mol
Exact Mass317.03
IUPAC Name(5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc([Se]CC2=NO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C16H15NOSe/c1-3-7-13(8-4-1)16-11-14(17-18-16)12-19-15-9-5-2-6-10-15/h1-10,16H,11-12H2/t16-/m1/s1
InChIKeyOKGRAMKLSHHKLI-MRXNPFEDSA-N
XLogP2.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Benzoin oxime
CID 9924
Cupron
CID 5354084
2-Propanone, O-(phenylmethyl)oxime
CID 18803
(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971

Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole (CID 76764381) is (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole is c1ccc([Se]CC2=NO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is OKGRAMKLSHHKLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NOSe/c1-3-7-13(8-4-1)16-11-14(17-18-16)12-19-15-9-5-2-6-10-15/h1-10,16H,11-12H2/t16-/m1/s1.
What are the key properties of (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 316.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 76764381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).