methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C17H15NO3 — CID 570983

IUPACmethyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-20-17(19)14-15(12-8-4-2-5-9-12)21-16(18-14)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyOGGPKVOFNVRZLA-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.75
Rot. Bonds3

About methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 570983) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID570983
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-20-17(19)14-15(12-8-4-2-5-9-12)21-16(18-14)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyOGGPKVOFNVRZLA-UHFFFAOYSA-N
XLogP2.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
methyl (4S,5S)-5-[2-(azidomethyl)phenyl]-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327782
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
2-(Dimethylamino)-1-phenylethyl 3-phenylpropanoate
CID 3051497
benzyl (4S)-2-benzyl-4,5-dihydrooxazole-4-carboxylate
CID 46201291

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 570983) is methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1N=C(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is OGGPKVOFNVRZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)14-15(12-8-4-2-5-9-12)21-16(18-14)13-10-6-3-7-11-13/h2-11,14-15H,1H3.
What are the key properties of methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 570983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).