(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole

C16H15NO — CID 101126246

IUPAC(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)16(18-17-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3/t15-,16-/m1/s1
InChIKeyOBSRUGSKLYAQBU-HZPDHXFCSA-N
MW237.30 g/mol
LogP3.92
Rot. Bonds2

About (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole

(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole (PubChem CID 101126246) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole
PubChem CID101126246
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)16(18-17-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3/t15-,16-/m1/s1
InChIKeyOBSRUGSKLYAQBU-HZPDHXFCSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole (CID 101126246) is (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is OBSRUGSKLYAQBU-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)16(18-17-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3/t15-,16-/m1/s1.
What are the key properties of (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole?
(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 237.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 101126246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).