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

C19H21NO — CID 164668216

IUPAC(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO/c1-19(2,3)18-20-16(14-10-6-4-7-11-14)17(21-18)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+/m0/s1
InChIKeyJGJZDVPPNZSOIP-DLBZAZTESA-N
MW279.38 g/mol
LogP4.94
Rot. Bonds2

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

(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 164668216) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID164668216
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO/c1-19(2,3)18-20-16(14-10-6-4-7-11-14)17(21-18)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+/m0/s1
InChIKeyJGJZDVPPNZSOIP-DLBZAZTESA-N
XLogP4.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 164668216) is (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JGJZDVPPNZSOIP-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)18-20-16(14-10-6-4-7-11-14)17(21-18)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+/m0/s1.
What are the key properties of (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164668216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).