tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C24H23NO3 — CID 102253036

IUPACtert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1N=C(c2ccccc2)O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-24(2,3)28-23(26)20-21(27-22(25-20)17-11-5-4-6-12-17)19-15-9-13-16-10-7-8-14-18(16)19/h4-15,20-21H,1-3H3/t20-,21+/m1/s1
InChIKeyFENUQMUAOWAETH-RTWAWAEBSA-N
MW373.45 g/mol
LogP5.07
Rot. Bonds3

About tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 102253036) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID102253036
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nametert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1N=C(c2ccccc2)O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-24(2,3)28-23(26)20-21(27-22(25-20)17-11-5-4-6-12-17)19-15-9-13-16-10-7-8-14-18(16)19/h4-15,20-21H,1-3H3/t20-,21+/m1/s1
InChIKeyFENUQMUAOWAETH-RTWAWAEBSA-N
XLogP5.07
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate
CID 102109474
(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 101351737
tert-butyl (2S)-3,5-diphenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 138979616
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
methyl 5-(1-methylpyrrol-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762781
methyl (4S,5R)-5-(5-methylfuran-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762759
(4S,5R)-2-[2-[(4S,5R)-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 66552817
methyl (4S,5R)-5-(5-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762865
tert-butyl 5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 91482202
tert-butyl (4S,5R)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14433526
methyl (4S,5S)-5-phenyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 15833692
tert-butyl (2S,3R)-3-phenyloxirane-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 102253036) is tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CC(C)(C)OC(=O)[C@@H]1N=C(c2ccccc2)O[C@H]1c1cccc2ccccc12.
What is the InChIKey of tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is FENUQMUAOWAETH-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(2,3)28-23(26)20-21(27-22(25-20)17-11-5-4-6-12-17)19-15-9-13-16-10-7-8-14-18(16)19/h4-15,20-21H,1-3H3/t20-,21+/m1/s1.
What are the key properties of tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102253036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).