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

C18H17NO3 — CID 23270958

IUPACethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)15-16(13-9-5-3-6-10-13)19-22-17(15)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3/t15-,17-/m1/s1
InChIKeyUCHVMEBZYVYLKS-NVXWUHKLSA-N
MW295.34 g/mol
LogP3.34
Rot. Bonds4

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

ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate (PubChem CID 23270958) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
PubChem CID23270958
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)15-16(13-9-5-3-6-10-13)19-22-17(15)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3/t15-,17-/m1/s1
InChIKeyUCHVMEBZYVYLKS-NVXWUHKLSA-N
XLogP3.34
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isoxadifen-ethyl
CID 6451155
(S)-3-(3-((E)-1-Benzyloxyiminoethyl)phenyl)-2-ethoxypropanoic Acid
CID 25114869
(2S)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
CID 25115790
(R)-3-(3-((E)-1-Benzyloxyiminoethyl)phenyl)-2-ethoxypropanoicAcid
CID 25114870
Cyclohexylmethyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate
CID 135973099
Cyclohexyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate
CID 135973115
(2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
CID 25115789
(Z)-7-[(1S,2E,5R)-2-benzhydryloxyimino-5-methylcyclopentyl]hept-5-enoic acid
CID 44273309
Ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 25270952
[(4Z)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate
CID 44420887
13-Phenylmethoxyimino-oxacyclohexadecan-2-one
CID 122177215
methyl (4S)-3-methyl-5-(p-tolyl)-4,5-dihydroisoxazole-4-carboxylate; methyl (5R)-3-methyl-4-(p-tolyl)-4,5-dihydroisoxazole-5-carboxylate
CID 16075502

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate (CID 23270958) is ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate is CCOC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The InChIKey is UCHVMEBZYVYLKS-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-18(20)15-16(13-9-5-3-6-10-13)19-22-17(15)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3/t15-,17-/m1/s1.
What are the key properties of ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 23270958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).