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

C17H17NO2 — CID 10730547

IUPAC(4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-19-12-15-16(13-8-4-2-5-9-13)18-17(20-15)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16-/m0/s1
InChIKeySHAOVNPPRNGRFU-HOTGVXAUSA-N
MW267.33 g/mol
LogP3.22
Rot. Bonds4

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

(4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10730547) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID10730547
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-19-12-15-16(13-8-4-2-5-9-13)18-17(20-15)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16-/m0/s1
InChIKeySHAOVNPPRNGRFU-HOTGVXAUSA-N
XLogP3.22
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole (CID 10730547) is (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole is COC[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SHAOVNPPRNGRFU-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H17NO2/c1-19-12-15-16(13-8-4-2-5-9-13)18-17(20-15)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16-/m0/s1.
What are the key properties of (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10730547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).